SCHEMBL13638503

SCHEMBL13638503

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3I)cc(C(=O)NCCN3CCCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.39
EPHX2 P34913 4/20 0.39
PSEN1 P49768 4/20 0.34
PSEN2 P49810 4/20 0.34
APH1B Q8WW43 4/20 0.34
NCSTN Q92542 4/20 0.34
APH1A Q96BI3 4/20 0.34
PSENEN Q9NZ42 4/20 0.34
CNR1 P21554 1/20 0.34
PRMT3 O60678 1/20 0.33
EGFR P00533 1/20 0.33
HTR3A P46098 1/20 0.33
CHEK1 O14757 1/20 0.32
WEE1 P30291 1/20 0.32

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
SCHEMBL9922429 0.95 P2RY12 (0.40) P2RY12EPHX2PSEN1PSEN2APH1B
SCHEMBL12177299 0.94 EPHX2 (0.41) P2RY12EPHX2PSEN1PSEN2APH1B
SCHEMBL9922806 0.92 EPHX2 (0.44) P2RY12EPHX2PSEN1PSEN2APH1B
SCHEMBL9922264 0.90 P2RY12 (0.45) P2RY12EPHX2PSEN1PSEN2APH1B
SCHEMBL9922427 0.89 EPHX2 (0.42) P2RY12EPHX2PSEN1PSEN2APH1B
SCHEMBL12177071 0.89 P2RY12 (0.41) P2RY12PSEN1PSEN2APH1BNCSTN
SCHEMBL13638498 0.88 EPHX2 (0.39) EPHX2CNR1
SCHEMBL9923110 0.87 P2RY12 (0.38) P2RY12EPHX2PSEN1PSEN2APH1B
SCHEMBL9922814 0.86 EPHX2 (0.46) P2RY12EPHX2PSEN1PSEN2APH1B
SCHEMBL12177281 0.85 EPHX2 (0.43) P2RY12EPHX2EGFRHTR3A

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-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed