SCHEMBL9083288

SCHEMBL9083288

O=C(NCCO[N+](=O)[O-])c1ccc(OC(=O)C2CCNCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MDM2 Q00987 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ELANE P08246 2/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 1/20 0.39
TMEM97 Q5BJF2 3/20 0.39
POLB P06746 2/20 0.37

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
SCHEMBL4432503 0.78 KMT2A (0.59) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL27750481 0.73 KMT2A (0.51) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL8957386 0.71 MEN1 (0.70) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9152126 0.70 KMT2A (0.56) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9475142 0.69 KMT2A (0.59) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL11555074 0.68 KMT2A (0.59) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10877017 0.68 NPC1 (0.53) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9278712 0.68 HPGD (0.64) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL11556980 0.67 KMT2A (0.58) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL28764104 0.67 KMT2A (0.58) KMT2ASMN1; SMN2ALDH1A1L3MBTL1ELANE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5589490-A BENZAMIDE DERIVATIVES WITH NITROXY ALKYL GROUPS ITALFARMACO S.P.A. (IT) 1996-12-31 US disclosed
EP-0540544-B1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO SPA (IT) 1995-02-15 EP disclosed
US-5366992-A IN MIXTURE WITH AN EXCIPIENT ITALFARMACO S.P.A. (IT) 1994-11-22 US disclosed
WO-1992001668-A1 BENZOIC ACID SUBSTITUTED DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ITALFARMACO S.P.A. (IT) 1992-02-06 WO disclosed