SCHEMBL296450

SCHEMBL296450

COc1ccc(NC(=O)c2ccc(/C=N/N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.72
KCNH2 Q12809 6/20 0.72
F2 P00734 1/20 0.72
KLKB1 P03952 2/20 0.57

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
SCHEMBL296451 1.00 F10 (0.72) F10KCNH2F2KLKB1
SCHEMBL891007 0.91 KCNH2 (0.66) F10KCNH2F2KLKB1
SCHEMBL21430146 0.88 F10 (0.75) F10KCNH2F2KLKB1
SCHEMBL12503549 0.87 F10 (0.55) F10KCNH2F2KLKB1
SCHEMBL6109439 0.85 F10 (0.75) F10KCNH2F2KLKB1
SCHEMBL12132941 0.85 F10 (0.78) F10KCNH2F2KLKB1
SCHEMBL14996400 0.85 F10 (0.78) F10KCNH2F2KLKB1
Betrixaban SCHEMBL29374026 0.84 F10 (1.00) F10KCNH2F2
SCHEMBL2607614 0.84 F10 (0.80) F10KCNH2F2KLKB1
Betrixaban SCHEMBL158591 0.84 F10 (1.00) F10KCNH2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948608-B1 PHARMACEUTICAL SALTS AND POLYMORPHS OF N-(5-CHLORO-2-PYRIDINYL)-2-[[4-[(DIMETHYLAMINO)IMINOMETHYL]BENZOYL]AMINO]-5-METHOXY-BENZAMIDE , A FACTOR XA INHIBITOR MILLENNIUM PHARM INC (US) 2012-03-14 EP disclosed
EP-1948608-A2 PHARMACEUTICAL SALTS AND POLYMORPHS OF N-(5-CHLORO-2-PYRIDINYL)-2-[[4-[(DIMETHYLAMINO)IMINOMETHYL]BENZOYL]AMINO]-5-METHOXY-BENZAMIDE , A FACTOR XA INHIBITOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-07-30 EP disclosed