SCHEMBL7364889

SCHEMBL7364889

NCc1ccc(-c2cc[c]c(C(=O)Nc3ccc(Cl)cn3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.54
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 2/20 0.44
PKM P14618 1/20 0.44
DEGS1 O15121 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRD4 O60885 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
SCHEMBL7362275 0.86 F10 (0.62) F10MEN1KMT2ARAB9ANPC1
SCHEMBL890831 0.79 F10 (0.61) F10RAB9ANPC1SMN1; SMN2
SCHEMBL14599849 0.72 F10 (0.77) F10
SCHEMBL27596699 0.71 RAB9A (0.68) F10MEN1KMT2ARAB9ANPC1
SCHEMBL10178049 0.70 F10 (1.00) F10
SCHEMBL27596580 0.70 KMT2A (0.72) F10MEN1KMT2ARAB9ANPC1
SCHEMBL10179144 0.68 F10 (0.80) F10
SCHEMBL890740 0.66 F10 (0.69) F10MEN1KMT2ARAB9ANPC1
SCHEMBL18286136 0.66 TDP1 (0.73) RAB9ANPC1TSHRSMN1; SMN2TP53
SCHEMBL28887661 0.65 SLC6A3 (0.45) RAB9ANPC1SMN1; SMN2KDM4ETP53

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 7 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-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