SCHEMBL13638701

SCHEMBL13638701

NCCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3Cl)c(=O)[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 3/20 0.59
HTT P42858 3/20 0.35
KDM4E B2RXH2 1/20 0.35
FBP1 P09467 1/20 0.35
ERCC1 P07992 1/20 0.33
FEN1 P39748 1/20 0.33
ERCC4 Q92889 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 4/20 0.32
TP53 P04637 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 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
SCHEMBL9923149 0.92 P2RY12 (0.59) P2RY12HTTKDM4EFBP1ERCC1
SCHEMBL9922877 0.91 P2RY12 (0.58) P2RY12HTTKDM4EFBP1ERCC1
SCHEMBL12161123 0.90 P2RY12 (0.57) P2RY12HTTKDM4EFBP1ERCC1
SCHEMBL9922526 0.90 P2RY12 (0.56) P2RY12HTTKDM4EFBP1ERCC1
SCHEMBL9922674 0.89 P2RY12 (0.55) P2RY12
SCHEMBL9923148 0.88 P2RY12 (0.55) P2RY12
SCHEMBL9922512 0.88 P2RY12 (0.65) P2RY12HTTKDM4EFBP1ERCC1
SCHEMBL9922506 0.88 P2RY12 (0.60) P2RY12HTTKDM4EFBP1ERCC1
SCHEMBL9923147 0.88 P2RY12 (0.54) P2RY12HTTKDM4EFBP1ERCC1
SCHEMBL9922881 0.88 P2RY12 (0.52) P2RY12HTTKDM4EKMT2AMAPT

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