SCHEMBL13638700

SCHEMBL13638700

CNC(=N)c1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cn3)c(=O)[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.47
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 4/20 0.32
RXFP1 Q9HBX9 3/20 0.32
TP53 P04637 2/20 0.32
KIT P10721 2/20 0.32
POLB P06746 1/20 0.32
ERCC1 P07992 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31

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
SCHEMBL9922859 0.93 P2RY12 (0.55) P2RY12KMT2AMEN1MAPTRXFP1
SCHEMBL9922446 0.89 P2RY12 (0.53) P2RY12KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12177250 0.88 P2RY12 (0.58) P2RY12KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12706582 0.86 P2RY12 (0.46) P2RY12KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12177332 0.85 KMT2A (0.39) P2RY12KMT2AMEN1ALDH1A1MAPT
SCHEMBL9922096 0.85 P2RY12 (0.47) P2RY12KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL13638699 0.85 P2RY12 (0.47) P2RY12KMT2AMEN1RXFP1KIT
SCHEMBL14113676 0.84 P2RY12 (0.48) P2RY12KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL9922100 0.83 P2RY12 (0.48) P2RY12KMT2AMEN1KITERCC1
SCHEMBL9922647 0.82 P2RY12 (0.69) P2RY12KMT2AMEN1ALDH1A1SMN1; SMN2

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