SCHEMBL7360700

SCHEMBL7360700

CC1CNC(c2ccc(C(=O)Nc3ccsc3C(=O)Nc3ccc(Cl)cn3)cc2)=N1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.61
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
F2 P00734 1/20 0.43
KCNH2 Q12809 1/20 0.43
DEGS1 O15121 1/20 0.43

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
SCHEMBL1378512 0.90 F10 (0.48) F10KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL1380346 0.86 F10 (0.50) F10RAB9ATP53TSHRNFKB1
SCHEMBL7365512 0.84 F10 (0.62) F10KCNH2
SCHEMBL1379857 0.82 F10 (0.64) F10F2KCNH2
SCHEMBL7432700 0.82 F10 (0.61) F10RAB9ATP53TSHRNFKB1
SCHEMBL890745 0.77 F10 (0.73) F10KMT2ARAB9ATP53TSHR
SCHEMBL890659 0.77 F10 (0.78) F10KMT2ARAB9ATP53TSHR
SCHEMBL10181492 0.77 F10 (1.00) F10F2KCNH2
SCHEMBL890599 0.76 F10 (0.77) F10KMT2ARAB9ATP53TSHR
SCHEMBL890960 0.75 F10 (0.74) F10KMT2ARAB9ATP53TSHR

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 3 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 disclosed
WO-2001064642-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