SCHEMBL5539465

SCHEMBL5539465

C#Cc1ccc(NC(=O)c2cc(Cl)cc(OC)c2N(C=O)c2ccc(C=NN(C)CCN(C)C)cc2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
POLB P06746 3/20 0.34
AHR P35869 1/20 0.34
F10 P00742 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 5/20 0.33
GAA P10253 2/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FGFR3 P22607 1/20 0.32
KDR P35968 3/20 0.32
KMT2A Q03164 3/20 0.31
RAB9A P51151 2/20 0.31
MEN1 O00255 2/20 0.31
HDAC3 O15379 2/20 0.31
EGFR P00533 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31

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
SCHEMBL5530436 0.96 F10 (0.34) NPC1POLBAHRF10ALDH1A1
SCHEMBL5533954 0.91 NPC1 (0.37) NPC1POLBAHRF10ALDH1A1
SCHEMBL5533724 0.90 F10 (0.38) F10FGFR3
SCHEMBL5534551 0.89 NPC1 (0.40) NPC1POLBAHRF10ALDH1A1
SCHEMBL5534065 0.88 F10 (0.41) NPC1POLBAHRF10ALDH1A1
SCHEMBL5531277 0.85 NPC1 (0.39) NPC1POLBAHRF10ALDH1A1
SCHEMBL5537319 0.85 F10 (0.38) F10
SCHEMBL5533806 0.84 F10 (0.33) F10
SCHEMBL5538435 0.83 F10 (0.40) NPC1POLBAHRF10ALDH1A1
SCHEMBL5533877 0.83 F10 (0.39) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP claimed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO claimed
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
EP-1373194-B1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARM INC (US) 2007-08-01 EP disclosed
EP-1373194-A1 BENZAMIDE INHIBITORS OF FACTOR Xa Millennium Pharmaceuticals, Inc. (US) 2004-01-02 EP disclosed
WO-2002079145-A1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-10-10 WO disclosed