SCHEMBL7362275

SCHEMBL7362275

NCc1ccccc1-c1ccc(-c2cc[c]c(C(=O)Nc3ccc(Cl)cn3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.62
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7364889 0.86 F10 (0.54) F10MEN1KMT2AKDM4ENPC1
SCHEMBL890740 0.82 F10 (0.69) F10MEN1KMT2ANPC1RAB9A
SCHEMBL14599846 0.76 F10 (0.76) F10MEN1KMT2ANPC1RAB9A
SCHEMBL10181146 0.76 F10 (1.00) F10
SCHEMBL890739 0.72 F10 (0.65) F10MEN1KMT2ANPC1RAB9A
SCHEMBL30466810 0.68 DPP4 (0.69) F10
SCHEMBL1134842 0.68 DPP4 (0.69) F10
SCHEMBL28751487 0.68 RAB9A (0.69) F10MEN1KMT2ANPC1TP53
SCHEMBL778050 0.66 KMT2A (0.60) F10MEN1KMT2ANPC1TP53
SCHEMBL890831 0.66 F10 (0.61) F10NPC1RAB9ASMN1; 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 6 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
EP-1259485-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-11-27 EP disclosed
EP-1216228-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2002-06-26 EP disclosed
WO-2001064643-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-09-07 WO disclosed
WO-2001019788-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR Xa COR THERAPEUTICS, INC. (US) 2001-03-22 WO disclosed