SCHEMBL9495490

SCHEMBL9495490

O=C(O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2cccc(OC(F)F)c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
TEAD3 Q99594 1/20 0.39
ABCB1 P08183 1/20 0.38
P2RY1 P47900 3/20 0.37
RORC P51449 4/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGER4 P35408 1/20 0.36
SCN9A Q15858 2/20 0.36
RARG P13631 1/20 0.36
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
MARS1 P56192 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 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
SCHEMBL9500778 0.90 TEAD1 (0.38) TEAD1TEAD4TEAD2TEAD3ABCB1
SCHEMBL9569701 0.88 RORC (0.45) TEAD1TEAD4TEAD2TEAD3P2RY1
SCHEMBL9495320 0.88 SLC5A1 (0.47) TEAD1TEAD4TEAD2TEAD3SCN9A
SCHEMBL30212108 0.86 RORC (0.45) TEAD1TEAD4TEAD2TEAD3ABCB1
SCHEMBL8830041 0.86 RORC (0.45) TEAD1TEAD4TEAD2TEAD3ABCB1
SCHEMBL30626343 0.86 TEAD1 (0.40) TEAD1TEAD4TEAD2TEAD3ABCB1
SCHEMBL26074914 0.86 TEAD1 (0.40) TEAD1TEAD4TEAD2TEAD3ABCB1
Potassium SCHEMBL10479127 0.85 RORC (0.44) TEAD1TEAD4TEAD2TEAD3ABCB1
SCHEMBL8830115 0.83 RORC (0.44) TEAD1TEAD4TEAD2TEAD3ABCB1
SCHEMBL30311004 0.82 TP53 (0.44) TEAD1TEAD4TEAD2TEAD3ABCB1

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-0320793-B1 CINNOLINE DERIVATIVE, PROCESS FOR PREPARING THE SAME AND HERBICIDAL COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-12 EP disclosed
EP-0320782-B1 PLANT MALE STERILANT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-12 EP disclosed
EP-0320793-A2 Cinnoline derivative, process for preparing the same and herbicidal composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-06-21 EP disclosed