SCHEMBL13638634

SCHEMBL13638634

CNc1ccc2c(=O)n(-c3ncc(NC(=O)NS(=O)(=O)c4ccc(C)s4)c(OC)n3)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.34
FBP1 P09467 8/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.32
KIT P10721 1/20 0.31
PIK3CA P42336 3/20 0.31
CREBBP Q92793 1/20 0.31
MTOR P42345 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL9922987 0.93 P2RY12 (0.42) P2RY12FBP1MEN1KMT2APIK3CA
SCHEMBL12177246 0.88 PIK3CA (0.34) P2RY12FBP1MEN1USP2KMT2A
SCHEMBL9923274 0.82 P2RY12 (0.41) P2RY12FBP1MEN1KMT2APIK3CA
SCHEMBL13638637 0.81 P2RY12 (0.36) P2RY12FBP1MEN1KMT2AKIT
SCHEMBL13638638 0.78 P2RY12 (0.38) P2RY12FBP1MEN1KMT2ACREBBP
SCHEMBL13638632 0.78 P2RY12 (0.42) P2RY12MEN1KMT2AKITCREBBP
SCHEMBL9923177 0.76 P2RY12 (0.55) P2RY12FBP1MEN1KMT2AKIT
SCHEMBL9922690 0.75 P2RY12 (0.46) P2RY12FBP1MEN1KMT2A
SCHEMBL13638377 0.75 P2RY12 (0.42) P2RY12FBP1CREBBP
SCHEMBL9922537 0.74 P2RY12 (0.45) P2RY12FBP1MEN1KMT2A

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