SCHEMBL16319451

SCHEMBL16319451

COc1ccc(OC(F)(F)F)cc1Oc1cc(F)c(C#N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.46
SLC22A12 Q96S37 4/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
PGR P06401 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL365994 0.95 AR (0.46) ARSLC22A12
SCHEMBL16319786 0.82 AR (0.45) ARSLC22A12PGRKDM4EUSP2
SCHEMBL365037 0.81 SLC22A12 (0.48) ARSLC22A12KDM4EUSP2ALDH1A1
SCHEMBL16319803 0.79 SLC6A4 (0.44) ARSLC22A12KDM4EUSP2ALDH1A1
SCHEMBL16319665 0.77 ESRRA (0.47) ARSLC22A12
SCHEMBL16319638 0.76 SLC22A12 (0.48) ARSLC22A12KDM4EUSP2ALDH1A1
SCHEMBL16319403 0.74 EPAS1 (0.38) ARSLC22A12KDM4EALDH1A1
SCHEMBL16319488 0.74 SLC22A12 (0.39) ARSLC22A12KDM4EUSP2ALDH1A1
SCHEMBL11963120 0.74 TRPV4 (0.50) ARSLC22A12KDM4EUSP2ALDH1A1
SCHEMBL12422184 0.74 CA12 (0.61)

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-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed