SCHEMBL2616003

SCHEMBL2616003

C=CC(=O)Nc1c(S)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.44
▸ P2RY2 P41231 5/20 0.43
▸ P2RY12 Q9H244 5/20 0.43
▸ P2RY4 P51582 4/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ P2RY1 P47900 2/20 0.43
▸ P2RY6 Q15077 2/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.40
▸ BTK Q06187 3/20 0.39
▸ EGFR P00533 1/20 0.39
▸ GNG2 P59768 2/20 0.39
▸ GNB1 P62873 2/20 0.39
▸ PLAUR Q03405 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ SRC P12931 1/20 0.38

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
SCHEMBL2609744 0.84 PHLPP2 (0.53) TGM2P2RY2P2RY12P2RY4CDK2
SCHEMBL11125302 0.81 CYP1A2 (0.53) TGM2P2RY2P2RY12P2RY4CDK2
SCHEMBL10934388 0.74 MEN1 (0.50) TGM2CYP1A2TSHRMEN1MAPT
SCHEMBL12837489 0.73 P2RY4 (0.65) P2RY2P2RY12P2RY4CDK2P2RY1
SCHEMBL11125310 0.71 P2RY12 (0.50) P2RY2P2RY12P2RY4CDK2P2RY1
SCHEMBL14070019 0.71 GNG2 (0.56) P2RY2P2RY12P2RY4CDK2P2RY1
SCHEMBL11119697 0.70 GNG2 (0.70) P2RY2P2RY12P2RY4CDK2P2RY1
SCHEMBL31616828 0.70 P2RY2 (0.76) P2RY2P2RY12P2RY4CDK2P2RY1
SCHEMBL31616829 0.70 P2RY2 (0.76) P2RY2P2RY12P2RY4CDK2P2RY1
SCHEMBL11509346 0.70 HSD17B10 (0.47) TGM2CYP1A2TSHRMEN1MAPT

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-20120090102-A1 ANIONIC DYE POLYMERS CONOPCO, INC., D/B/A UNILEVER 2012-04-19 — — US disclosed
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