SCHEMBL4912258

SCHEMBL4912258

O=[N+]([O-])c1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CRHBP P24387 1/20 0.48
ATM Q13315 1/20 0.48
CRHR2 Q13324 1/20 0.48
TLR9 Q9NR96 1/20 0.48
CYP3A4 P08684 4/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
HIF1A Q16665 3/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 2/20 0.42
THPO P40225 2/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9651254 0.90 MAPT (0.50) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5174637 0.90 MMP14 (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5172965 0.90 MMP14 (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL9651259 0.90 MAPT (0.50) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL7465193 0.90 MAPT (0.51) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5382472 0.85 GAA (0.49) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL27927482 0.81 MAPT (0.68) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5692166 0.81 MAPT (0.62) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL17525043 0.81 MAPT (0.49) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL168393 0.81 ALDH1A1 (0.54) MAPTALDH1A1L3MBTL1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106631874-B Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-acetyl group -1,4- phenylenediamine and preparation method thereof 长安大学 2019-05-10 CN claimed
CN-106631857-B Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-propiono -1,4- phenylenediamine and preparation method thereof 长安大学 2019-05-10 CN claimed
CN-106631876-B (2- the chloroethyl)-N '-myristoyl of nitrogen mustard derivatives N, N- bis- base-Isosorbide-5-Nitrae-phenylenediamine and preparation method thereof 长安大学 2019-05-03 CN claimed
CN-106631875-B Nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-hexadecanoyl group -1,4- phenylenediamine and preparation method thereof 长安大学 2019-05-03 CN claimed
CN-106631856-B Nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-benzoyl -1,4- phenylenediamine and preparation method thereof 长安大学 2019-03-19 CN claimed
CN-106631857-A Aryl nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-propionyl-1,4-phenylenediamine and preparation method thereof 长安大学 2017-05-10 CN claimed
CN-106631876-A Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-myristoyl-1,4-phenylenediamine and preparation method thereof 长安大学 2017-05-10 CN claimed
CN-106631856-A Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-benzoyl-1,4-phenylenediamine and preparation method thereof 长安大学 2017-05-10 CN claimed
CN-106631874-A Arylamine nitrogen mustard derivative N,N-bis(2-chloroethyl)-N'-acetyl-1,4-phenylenediamine and preparation method thereof 长安大学 2017-05-10 CN claimed
CN-106631875-A Nitrogen mustard derivative N,N-di(2-chloroethyl)-N'-hexadecanoyl-1,4-phenylenediamine and preparation method thereof 长安大学 2017-05-10 CN claimed
CN-114516849-B Synthesis method of 1- (4-aminophenyl) -4- (4-hydroxyphenyl) piperazine 江苏恒盛药业有限公司 2025-04-29 CN disclosed
CN-114516849-A Synthesis method of 1- (4-aminophenyl) -4- (4-hydroxyphenyl) piperazine 江苏恒盛药业有限公司 2022-05-20 CN disclosed
CN-106631857-B Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-propiono -1,4- phenylenediamine and preparation method thereof 长安大学 2019-05-10 CN disclosed
CN-106631874-B Arylamine nitrogen mustard derivatives N, N- bis- (2- chloroethyl)-N '-acetyl group -1,4- phenylenediamine and preparation method thereof 长安大学 2019-05-10 CN disclosed
CN-106631876-B (2- the chloroethyl)-N '-myristoyl of nitrogen mustard derivatives N, N- bis- base-Isosorbide-5-Nitrae-phenylenediamine and preparation method thereof 长安大学 2019-05-03 CN disclosed
US-5587161-A TWO COMPONENT SYSTEM INCLUDING ANTIBODY OR ANTIGEN BINDING FRAGMENT CONJUGATED TO CARBOXYPEPTIDASE G ENZYME, COMPOUND CONVERTIBLE TO CYTOTOXIC DRUG UNDER INFLUENCE OF ENZYME ZENECA LIMITED (GB) 1996-12-24 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed
EP-0651740-A1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LIMITED (GB) 1995-05-10 EP disclosed
US-5405990-A For use in antibody directed enzyme prodrug therapy; cytotoxic parent nitrogen mustard; antitumor agents ZENECA LIMITED (GB) 1995-04-11 US disclosed
WO-1994002450-A1 AMINO ACID LINKED NITROGEN MUSTARD DERIVATIVES AND THEIR USE AS PRODRUGS IN THE TREATMENT OF TUMOURS ZENECA LIMITED (GB) 1994-02-03 WO disclosed