SCHEMBL7370692

SCHEMBL7370692

COc1cc(C(=O)Nc2ccc(Br)cn2)c(NC(=O)c2ccc(C3=NC(C)CN3)cc2)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MITF O75030 1/20 0.43
ABCB1 P08183 4/20 0.43
ABCC1 P33527 3/20 0.43
RXFP1 Q9HBX9 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
F10 P00742 2/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DEGS1 O15121 1/20 0.39
KLK1 P06870 1/20 0.39

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
SCHEMBL1376815 0.83 F10 (0.51) RAB9ANPC1MEN1KMT2AF10
SCHEMBL890890 0.79 RAB9A (0.51) RAB9ANPC1MITFABCB1ABCC1
SCHEMBL1377863 0.79 F10 (0.49) RAB9ANPC1RXFP1MEN1KMT2A
SCHEMBL890529 0.78 F10 (0.55) RAB9ANPC1MITFABCB1ABCC1
SCHEMBL1378512 0.75 F10 (0.48) RAB9ANPC1RXFP1MEN1KMT2A
SCHEMBL1379857 0.73 F10 (0.64) F10
SCHEMBL1379848 0.72 ALDH1A1 (0.36) NPC1MEN1KMT2A
SCHEMBL7365512 0.71 F10 (0.62) F10
SCHEMBL890667 0.70 RAB9A (0.57) RAB9ANPC1MITFMEN1KMT2A
SCHEMBL7432700 0.69 F10 (0.61) RAB9AF10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2001064642-A2 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. (US) 2001-09-07 WO 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