SCHEMBL15540252

SCHEMBL15540252

O=[C]c1ccc(I)cc1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.33
MAP2K1 Q02750 3/20 0.33
MAP2K2 P36507 2/20 0.33

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
SCHEMBL171635 0.77 TRPV4 (0.57) TRPV4
SCHEMBL96914 0.76 CES2 (0.43) TRPV4
SCHEMBL95554 0.76 ERN1 (0.31)
SCHEMBL2366749 0.73 DGAT1 (0.44) TRPV4
SCHEMBL21201424 0.73 NFE2L2 (0.36) TRPV4
SCHEMBL6212336 0.73 PTGDR2 (0.38) TRPV4
SCHEMBL3810952 0.73 ESR1 (0.41)
SCHEMBL5469015 0.73 CYP11B1 (0.35) TRPV4
SCHEMBL21201454 0.73 IDO1 (0.37) TRPV4MAP2K1
SCHEMBL624867 0.72 CYP3A4 (0.38) MAP2K1MAP2K2

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-2718284-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2014-04-16 EP disclosed
WO-2013186692-A1 TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-12-19 WO disclosed