SCHEMBL4974368

SCHEMBL4974368

Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(Nc2ccc(-c3csnn3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.49

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
SCHEMBL402826 0.92 CYP2C9 (0.47) CYP2C9
SCHEMBL10279600 0.84 LMNA (0.45)
SCHEMBL4975360 0.83 CYP2C9 (0.56) CYP2C9
SCHEMBL4970076 0.77 CYP2C9 (0.53) CYP2C9
SCHEMBL4968884 0.77 CYP2C9 (0.51) CYP2C9
SCHEMBL13643827 0.76 CYP2C9 (0.63) CYP2C9
SCHEMBL399791 0.76 CYP2C9 (0.61) CYP2C9
SCHEMBL1015289 0.76 CYP2C9 (0.56) CYP2C9
SCHEMBL399547 0.75 CYP2C9 (0.55) CYP2C9
SCHEMBL4903090 0.75 CYP2C9 (0.62) CYP2C9

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-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 WO disclosed