SCHEMBL14366121

SCHEMBL14366121

C#Cc1ccc(NC(=O)c2cc(OC)ccc2NC(=O)c2ccc(C(=N)N3CCC(C(=O)OC)CC3)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.49
KCNH2 Q12809 4/20 0.44
F2 P00734 1/20 0.41
CPS1 P31327 1/20 0.41
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL14345161 0.94 F10 (0.48) F10KCNH2F2CPS1CYP1A2
SCHEMBL5532103 0.94 F10 (0.48) F10KCNH2F2CPS1CYP1A2
SCHEMBL14345426 0.94 F10 (0.45) F10KCNH2TSHR
SCHEMBL14345290 0.93 KCNH2 (0.52) F10KCNH2
SCHEMBL5531643 0.93 F10 (0.47) F10KCNH2F2CPS1CYP1A2
SCHEMBL14345283 0.91 F10 (0.53) F10KCNH2F2TSHR
SCHEMBL5532168 0.91 F10 (0.50) F10KCNH2F2
SCHEMBL14366554 0.86 KCNH2 (0.52) F10KCNH2
SCHEMBL5534302 0.85 F10 (0.53) F10KCNH2F2GAA
SCHEMBL5528854 0.85 F10 (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312235-B2 Benzamide inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed