SCHEMBL5539613

SCHEMBL5539613

C#Cc1ccc(NC(=O)c2cc(Cl)cc(OC)c2NC(=O)c2ccc(N=CN3CCC(OC(=O)O)CC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.40
F2 P00734 1/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
ASF1A Q9Y294 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL5534263 0.92 F10 (0.41) F10F2KDM4EALDH1A1MAPT
SCHEMBL5536595 0.91 KCNH2 (0.39) F10F2KDM4EALDH1A1MAPT
SCHEMBL5535298 0.91 F10 (0.41) F10F2KDM4EALDH1A1MAPT
SCHEMBL5531800 0.91 F10 (0.41) F10F2KDM4EALDH1A1MAPT
SCHEMBL5534467 0.90 F10 (0.48) F10F2KCNH2
SCHEMBL5537249 0.87 KCNH2 (0.48) F10F2KDM4EALDH1A1KMT2A
SCHEMBL5532158 0.87 KCNH2 (0.48) F10F2KDM4EALDH1A1KMT2A
SCHEMBL5529711 0.86 F10 (0.52) F10F2KDM4EALDH1A1MAPT
SCHEMBL5541042 0.83 F10 (0.47) F10F2
SCHEMBL5532833 0.83 KCNH2 (0.42) F10F2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373194-B1 BENZAMIDE INHIBITORS OF FACTOR Xa MILLENNIUM PHARM INC (US) 2007-08-01 EP claimed