SCHEMBL6570860

SCHEMBL6570860

C=CCNC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
ALDH1A1 P00352 3/20 0.60
HPGD P15428 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 1/20 0.59
THRA P10827 1/20 0.58
POLB P06746 2/20 0.57
ATM Q13315 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL16263519 0.85 RAB9A (0.57) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL7047963 0.85 RAB9A (0.57) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL8026418 0.84 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL7110355 0.83 HPGD (0.67) KMT2AMEN1SMN1; SMN2MAPTRAB9A
SCHEMBL9312131 0.82 MAPT (0.72) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL10604299 0.82 ALDH1A1 (0.66) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL27388550 0.81 KMT2A (0.64) KMT2AMEN1SMN1; SMN2MAPTNPC1
SCHEMBL8884550 0.81 ATM (0.67) KMT2AMEN1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11352927 0.81 ALDH1A1 (0.64) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL5804219 0.80 RAB9A (0.51) KMT2AMEN1SMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408026-A1 Alpha-amino-N-allylamidino nitrobenzene compound and synthesis EASTMAN KODAK COMPANY (US) 2004-04-14 EP disclosed
US-6555711-B1 Reacting an N-allylimino nitrobenzene compound with a diamino-dinucleophile to form an alpha-amino-N- allylamidino-nitrobenzene compound; chemical intermediate for a pyrazolo(1,5-b)(1,2,4)triazole color photographic coupler EASTMAN KODAK COMPANY 2003-04-29 US disclosed
EP-0968173-A1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR NYCOMED IMAGING AS (NO) 2000-01-05 EP disclosed
WO-1998034905-A1 PROCESS FOR THE PREPARATION OF IODINATED CONTRAST AGENTS AND INTERMEDIATES THEREFOR NYCOMED IMAGING AS (NO) 1998-08-13 WO disclosed
US-4051177-A PROCESS FOR THE PREPARATION OF UNSATURATED AMINO COMPOUNDS BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4002673-A GROUP VIII METAL SULFIDE AS HYDROGENATION CATALYST BAYER AKTIENGESELLSCHAFT (DT) 1977-01-11 US disclosed