SCHEMBL9569701

SCHEMBL9569701

COc1cccc2c1c(=O)c(C(=O)O)nn2-c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 2/20 0.42
TEAD1 P28347 1/20 0.42
TEAD4 Q15561 1/20 0.42
TEAD2 Q15562 1/20 0.42
TEAD3 Q99594 1/20 0.42
HCRTR1 O43613 7/20 0.41
HCRTR2 O43614 7/20 0.41
CYP3A4 P08684 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
P2RY1 P47900 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
ADORA1 P30542 1/20 0.39

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
SCHEMBL9495490 0.88 TEAD1 (0.39) RORCTP53TEAD1TEAD4TEAD2
SCHEMBL8636360 0.87 RORC (0.46) RORCALDH1A1TP53HCRTR1HCRTR2
SCHEMBL8637313 0.87 RORC (0.52) RORCALDH1A1TP53L3MBTL1SMN1; SMN2
SCHEMBL30212108 0.86 RORC (0.45) RORCTP53TEAD1TEAD4TEAD2
SCHEMBL8830041 0.86 RORC (0.45) RORCTP53TEAD1TEAD4TEAD2
SCHEMBL8641097 0.85 RORC (0.49) RORCALDH1A1TP53L3MBTL1SMN1; SMN2
SCHEMBL30311004 0.85 TP53 (0.44) TP53TEAD1TEAD4TEAD2TEAD3
SCHEMBL26074779 0.85 TP53 (0.44) TP53TEAD1TEAD4TEAD2TEAD3
SCHEMBL8830115 0.85 RORC (0.44) RORCTP53TEAD1TEAD4TEAD2
Potassium SCHEMBL10479127 0.85 RORC (0.44) RORCTP53TEAD1TEAD4TEAD2

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-0530063-A1 Pollen suppressant for dicotyledon plants comprising a 5-oxy-substituted cinnoline ORSAN (FR) 1993-03-03 EP disclosed
EP-0530064-A1 Pollen suppressant for Liliopsida plants comprising a 5-oxy-substituted cinnoline HYBRINOVA (FR) 1993-03-03 EP disclosed
US-5129940-A Antifertility agents for Liliopsida ORSAN (FR) 1992-07-14 US disclosed