SCHEMBL7360076

SCHEMBL7360076

COc1ccc(NC(=O)c2ccc(C#N)cc2)c(C(N)=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.56
MAPT P10636 4/20 0.55
POLB P06746 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
RAB9A P51151 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 2/20 0.50
TP53 P04637 1/20 0.50
KCNK2 O95069 1/20 0.50
LMNA P02545 1/20 0.50
AHR P35869 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP1B1 Q16678 1/20 0.49
PLK1 P53350 1/20 0.48
PLK3 Q9H4B4 1/20 0.48
KDM4E B2RXH2 3/20 0.48

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
SCHEMBL27585346 0.85 F10 (0.58) F10MAPTPOLBRXFP1RAB9A
SCHEMBL259543 0.82 MEN1 (0.68) MAPTPOLBRXFP1RAB9ASMN1; SMN2
SCHEMBL6359657 0.81 MAPT (0.70) F10MAPTPOLBRXFP1RAB9A
SCHEMBL7244828 0.81 F10 (0.71) F10MAPTPOLBRXFP1RAB9A
SCHEMBL805112 0.79 RAB9A (0.58) F10POLBRXFP1RAB9ASMN1; SMN2
SCHEMBL7487525 0.79 KMT2A (0.62) F10MAPTPOLBRAB9ASMN1; SMN2
SCHEMBL14366426 0.78 F10 (0.58) F10MAPTPOLBRAB9ANPC1
SCHEMBL10177863 0.78 F10 (0.57) F10MAPTPOLBRAB9ANPC1
SCHEMBL254113 0.78 F10 (0.72) F10
SCHEMBL890791 0.78 F10 (0.57) F10POLBRAB9ANPC1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP claimed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO claimed