SCHEMBL7975715

SCHEMBL7975715

CCOc1ccc([N+](=O)[O-])c(Nc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.56
KMT2A Q03164 7/20 0.56
NPC1 O15118 6/20 0.56
MEN1 O00255 5/20 0.56
MAPT P10636 7/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 6/20 0.55
L3MBTL1 Q9Y468 4/20 0.55
CASP7 P55210 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.54
PKM P14618 2/20 0.54
POLB P06746 1/20 0.54
AKR1B10 O60218 1/20 0.51
AKR1B1 P15121 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51

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
SCHEMBL11355262 0.89 MAPT (0.63) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL8886349 0.88 MAPT (0.59) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4903737 0.87 NPC1 (0.57) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL5579639 0.85 CTSV (0.55) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL4892299 0.85 LMNA (0.51) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL8886856 0.85 KMT2A (0.55) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL2212705 0.85 AKR1C3 (0.68) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL31218599 0.84 CHRNB2 (0.53) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL5838060 0.83 MAPK1 (0.62) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL8884987 0.83 MAPT (0.52) RAB9AKMT2ANPC1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218388-B1 THERAPY OF PROTEIN TYROSINE KINASE MEDIATED CANCER, ATHEROSCLEROSIS, RESTENOSIS, AND PSORIASIS BY ADMINISTERING BENZIMIDAZOLE DERIVATIVE WARNER-LAMBERT COMPANY 2001-04-17 US disclosed