SCHEMBL4795077

SCHEMBL4795077

COC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.57
TEAD1 P28347 1/20 0.57
TEAD4 Q15561 1/20 0.57
TEAD2 Q15562 1/20 0.57
TEAD3 Q99594 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
ELANE P08246 4/20 0.50
PLAU P00749 3/20 0.50
F2 P00734 2/20 0.50
PTGER4 P35408 1/20 0.48
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
ABCB1 P08183 1/20 0.46
RORC P51449 1/20 0.45

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
SCHEMBL4791726 0.86 SCN9A (0.55) SCN9ATEAD1TEAD4TEAD2TEAD3
SCHEMBL717998 0.84 ELANE (0.63) SCN9AELANEPLAUF2TP53
SCHEMBL4792744 0.83 L3MBTL1 (0.51) TEAD1TEAD4TEAD2TEAD3L3MBTL1
SCHEMBL16260376 0.83 SCN9A (0.56) SCN9AELANEPLAUF2TP53
SCHEMBL14333217 0.82 SCN9A (0.57) SCN9AL3MBTL1ELANEPLAUF2
SCHEMBL4790822 0.82 SCN9A (0.55) SCN9AELANEPLAUF2ALDH1A1
SCHEMBL29005378 0.82 TEAD1 (0.53) SCN9ATEAD1TEAD4TEAD2TEAD3
SCHEMBL4792532 0.81 SCN9A (0.61) SCN9ATEAD1TEAD4TEAD2TEAD3
SCHEMBL14406104 0.81 SCN9A (0.54) SCN9AELANEPLAUF2TP53
SCHEMBL5945786 0.80 SCN9A (0.62) SCN9AELANEPLAUF2TP53

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