SCHEMBL4053413

SCHEMBL4053413

Cc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL1073340 0.90 CYP2C9 (0.54) CYP2C9
SCHEMBL16035424 0.80 RAF1 (0.54)
SCHEMBL29427236 0.80 RAF1 (0.54)
SCHEMBL18988941 0.78 BRAF (0.50)
SCHEMBL3301142 0.78 RAB9A (0.42) GAALMNA
SCHEMBL2887561 0.77 BRAF (0.58) LMNA
SCHEMBL29536884 0.77 BRAF (0.58) LMNA
SCHEMBL13644626 0.76 LMNA (0.53) GAALMNACYP2C9
SCHEMBL13643827 0.76 CYP2C9 (0.63) CYP2C9
SCHEMBL25421239 0.76 RAF1 (0.52)

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
WO-2009030952-A2 PHENYLCARBOXAMIDE DERIVATIVES AS INHIBITORS AND EFFECTORS OF THE HEDGEHOG PATHWAY ASTRAZENECA AB (SE) 2009-03-12 WO disclosed