SCHEMBL13638521

SCHEMBL13638521

CNc1ccc2c(=O)n(-c3ncc(NC(=O)NCc4ccc(C)s4)c(O)n3)c(=O)[nH]c2c1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
RXFP1 Q9HBX9 3/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
P2RY12 Q9H244 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
EGLN3 Q9H6Z9 1/20 0.30
METAP2 P50579 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
SCHEMBL12177308 0.91 EGLN3 (0.36) ERCC1FEN1ERCC4CA12CA9
SCHEMBL14228582 0.89 RXFP1 (0.38) ERCC1FEN1ERCC4CA12CA9
SCHEMBL9922402 0.83 EGLN3 (0.40) ERCC1FEN1ERCC4CA12CA9
SCHEMBL12177256 0.83 ERCC1 (0.36) ERCC1FEN1ERCC4CA12CA9
SCHEMBL14200892 0.81 P2RY12 (0.42) ERCC1FEN1ERCC4CA12CA9
SCHEMBL13638516 0.81 P2RY12 (0.38) ERCC1FEN1ERCC4CA12CA9
SCHEMBL12177436 0.80 ERCC1 (0.40) ERCC1FEN1ERCC4CA12CA9
SCHEMBL12177309 0.79 P2RY12 (0.38) ERCC1FEN1ERCC4CA12CA9
SCHEMBL13182836 0.79 P2RY12 (0.40) ERCC1FEN1ERCC4CA12CA9
SCHEMBL12177433 0.78 P2RY12 (0.41) ERCC1FEN1ERCC4CA12CA9

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