SCHEMBL7407016

SCHEMBL7407016

O=C(O)C1CN(Cc2ccc(-c3ccc(Cl)s3)s2)CC(=O)N1Cc1cc2cnccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.51
F2 P00734 2/20 0.38
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 1/20 0.32
NAMPT P43490 1/20 0.32
IKBKE Q14164 1/20 0.31
TBK1 Q9UHD2 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
AKR1B1 P15121 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL4393371 0.92 F10 (0.49) F10F2PRMT5WDR77NAMPT
SCHEMBL1384293 0.86 F10 (0.49) F10F2PRMT5WDR77
SCHEMBL1653779 0.81 F10 (0.69) F10F2PRMT5WDR77
SCHEMBL1385605 0.79 F10 (0.56) F10F2PRMT5WDR77IKBKE
SCHEMBL27554508 0.78 F10 (0.49) F10F2NAMPT
SCHEMBL1654864 0.78 F10 (0.69) F10F2NAMPT
SCHEMBL1654863 0.78 F10 (0.69) F10F2NAMPT
SCHEMBL1385446 0.76 F10 (0.47) F10F2PRMT5WDR77NAMPT
SCHEMBL1387055 0.75 F10 (0.39) F10F2
SCHEMBL1385010 0.74 F10 (0.46) F10F2PRMT5WDR77

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-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP claimed
JP-2002501024-A 2002-01-15 JP claimed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP claimed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO claimed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 WO disclosed