SCHEMBL13638512

SCHEMBL13638512

Cc1ccc2nc(C)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3)c(=O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.57
POLB P06746 1/20 0.48
PPARG P37231 1/20 0.44
TP53 P04637 1/20 0.43
HPD P32754 3/20 0.42
FBP1 P09467 1/20 0.41
LMNA P02545 2/20 0.40
KDR P35968 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL9922937 0.93 P2RY12 (0.57) P2RY12POLBPPARGTP53HPD
SCHEMBL13638515 0.91 P2RY12 (0.55) P2RY12POLBPPARGTP53HPD
SCHEMBL9922155 0.91 P2RY12 (0.59) P2RY12POLBPPARGTP53HPD
SCHEMBL9922158 0.91 P2RY12 (0.55) P2RY12PPARGTP53HPDFBP1
SCHEMBL9922163 0.91 P2RY12 (0.54) P2RY12PPARGTP53HPDFBP1
SCHEMBL9922153 0.90 P2RY12 (0.54) P2RY12POLBPPARGTP53HPD
SCHEMBL12161433 0.90 P2RY12 (0.54) P2RY12POLBPPARGTP53HPD
SCHEMBL9922940 0.90 P2RY12 (0.54) P2RY12PPARGTP53HPDLMNA
SCHEMBL9922162 0.90 P2RY12 (0.56) P2RY12POLBPPARGTP53HPD
SCHEMBL9922936 0.89 P2RY12 (0.56) P2RY12POLBPPARGTP53LMNA

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