SCHEMBL7933915

SCHEMBL7933915

O=[N+]([O-])c1ccc(-n2cncn2)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL6448588 0.82 ALDH1A1 (0.49) MAPTKMT2APOLBKDM4ETDP1
SCHEMBL6446115 0.82 HSD17B10 (0.49) MAPTKMT2AALDH1A1HPGDMAPK1
SCHEMBL2659793 0.82 CYP1A2 (0.51) MAPTKMT2APOLBALDH1A1HSP90AA1
SCHEMBL18146104 0.82 ALDH1A1 (0.54) MAPTKMT2APOLBTDP1ALDH1A1
SCHEMBL31261399 0.82 ALDH1A1 (0.54) MAPTKMT2APOLBTDP1ALDH1A1
SCHEMBL12306339 0.82 MAPT (0.42) MAPTKMT2APOLBALDH1A1HSP90AA1
SCHEMBL29718848 0.81 CA2 (0.44) MAPTKMT2APOLBALDH1A1
SCHEMBL31285140 0.79 TSHR (0.49) MAPTKMT2APOLBKDM4ETDP1
SCHEMBL3156146 0.79 LMNA (0.57) MAPTKMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL6179703 0.79 LMNA (0.51) MAPTKMT2APOLBKDM4ETDP1

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
WO-2010070008-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-06-24 WO disclosed