SCHEMBL4792952

SCHEMBL4792952

OCc1nn(-c2ccc(OC(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 4/20 0.63
TEAD4 Q15561 4/20 0.63
TEAD2 Q15562 4/20 0.63
TEAD3 Q99594 4/20 0.63
SCN9A Q15858 5/20 0.41
PTGER4 P35408 1/20 0.41
RARG P13631 1/20 0.40
RORC P51449 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PDE5A O76074 1/20 0.39
ABCB1 P08183 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SERPINE1 P05121 1/20 0.38

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
SCHEMBL25232718 0.88 TEAD1 (0.61) TEAD1TEAD4TEAD2TEAD3SCN9A
Hydrochloric Acid SCHEMBL25208896 0.87 TEAD1 (0.60) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL4792411 0.87 TEAD1 (0.66) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL25239105 0.84 TEAD1 (0.60) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL30424432 0.84 TEAD1 (0.60) TEAD1TEAD4TEAD2TEAD3SCN9A
Hydrochloric Acid SCHEMBL25237493 0.83 TEAD1 (0.59) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL4792507 0.82 MAPT (0.47) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL25237292 0.82 TEAD1 (0.61) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL4794408 0.82 TEAD1 (0.45) TEAD1TEAD4TEAD2TEAD3RARG
SCHEMBL25749012 0.81 TEAD1 (0.63) TEAD1TEAD4TEAD2TEAD3SCN9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937647-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed