SCHEMBL13638515

SCHEMBL13638515

Cc1nc2ccc(S)cc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.55
TP53 P04637 3/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPD P32754 2/20 0.40
PPARG P37231 1/20 0.40
FBP1 P09467 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 4/20 0.39
NOD1 Q9Y239 1/20 0.39
LMNA P02545 2/20 0.38
KDR P35968 1/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL13638512 0.91 P2RY12 (0.57) P2RY12TP53HDAC1HDAC2HDAC10
SCHEMBL9922358 0.91 P2RY12 (0.45) P2RY12TP53HDAC1HDAC2HDAC10
SCHEMBL9922937 0.91 P2RY12 (0.57) P2RY12TP53HDAC1HDAC2HDAC10
SCHEMBL9922155 0.90 P2RY12 (0.59) P2RY12TP53HDAC1HDAC2HDAC10
SCHEMBL9922158 0.90 P2RY12 (0.55) P2RY12TP53HDAC1HDAC2HDAC10
SCHEMBL12177377 0.89 P2RY12 (0.44) P2RY12PPARGFBP1NPC1MAPT
SCHEMBL9922163 0.89 P2RY12 (0.54) P2RY12TP53HDAC1HDAC2HDAC10
SCHEMBL9922153 0.88 P2RY12 (0.54) P2RY12TP53HPDPPARGMAPT
SCHEMBL12161433 0.88 P2RY12 (0.54) P2RY12TP53HDAC1HDAC2HDAC10
SCHEMBL9922940 0.88 P2RY12 (0.54) P2RY12TP53HPDPPARGNPC1

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