SCHEMBL1379848

SCHEMBL1379848

COc1cc(NC(=O)c2ccc(C3=NC(C)CN3)cc2)c(N(C=O)c2ccc(Br)cn2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
MAPT P10636 1/20 0.36
AAK1 Q2M2I8 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
GPR35 Q9HC97 1/20 0.33
EGFR P00533 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33

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
SCHEMBL891023 0.80 F10 (0.44) ALDH1A1KDM4EHPGDMAPTAAK1
SCHEMBL1376815 0.74 F10 (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7370692 0.72 RAB9A (0.44) MEN1KMT2ANPC1
SCHEMBL1378512 0.71 F10 (0.48) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL1377863 0.69 F10 (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL891013 0.67 GPR35 (0.40) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL890782 0.62 KDM4E (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7365512 0.62 F10 (0.62)
SCHEMBL7360700 0.61 F10 (0.61) SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7432700 0.60 F10 (0.61) SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4744050-B2 Benzamides And Related Inhibitors Of Factor Xa 2011-08-10 JP claimed
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