SCHEMBL8636360

SCHEMBL8636360

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.46
POLB P06746 3/20 0.43
HDAC4 P56524 1/20 0.43
ATM Q13315 1/20 0.43
SCN9A Q15858 2/20 0.42
TP53 P04637 3/20 0.41
GPR139 Q6DWJ6 1/20 0.39
MAPT P10636 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA1 P30542 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX3 P56373 1/20 0.38
CASR P41180 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 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
SCHEMBL8637313 0.89 RORC (0.52) RORCPOLBTP53MAPTMEN1
SCHEMBL8641097 0.87 RORC (0.49) RORCPOLBATMTP53MAPT
SCHEMBL9569701 0.87 RORC (0.45) RORCTP53GPR139MAPTADORA1
SCHEMBL9569710 0.85 RORC (0.46) RORCPOLBTP53MAPTKMT2A
SCHEMBL10916806 0.84 RORC (0.45) RORCPOLBATMSCN9AMAPT
SCHEMBL8830007 0.83 RORC (0.44) RORCPOLBSCN9ATP53MAPT
SCHEMBL30626350 0.80 SCN9A (0.41) POLBATMSCN9AMAPTPTGDR2
SCHEMBL26074932 0.80 SCN9A (0.41) POLBATMSCN9AMAPTPTGDR2
SCHEMBL8639493 0.80 CCR2 (0.45) RORCTP53MAPTMEN1KMT2A
SCHEMBL8638653 0.77 KMT2A (0.43) RORCPOLBTP53MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519140-B1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acids, esters and salts thereof, and intermediates used in this method HYBRINOVA (FR) 1998-07-29 EP disclosed
US-5696055-A USED IN INDUCING MALE STERILITY OR PRODUCING HYBRID SEEDS IN A GRAMINEOUS PLANT HYBRINOVA S.A. (FR) 1997-12-09 US disclosed
EP-0363236-B1 Pollen suppressant comprising a 5-oxy- or amino-substituted cinnoline HYBRINOVA (FR) 1994-12-07 EP disclosed
US-5332716-A Pollen suppressant comprising a 5-oxy- or amino-substituted cinnoline E.I. DU PONT DE NEMOURS AND COMPANY 1994-07-26 US disclosed
US-5304672-A Intermediates for pollen suppressants ORSAN (FR) 1994-04-19 US disclosed
US-5183891-A Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation ORSAN (FR) 1993-02-02 US disclosed
EP-0519140-A1 Method for the preparation of substituted 1,4-dihydro-4-oxo-cinnoline-3-carboxylic acid, esters and salts thereof, and intermediates used in their preparation HYBRINOVA (FR) 1992-12-23 EP disclosed
US-5129939-A Antifertility agents ORSAN (FR) 1992-07-14 US disclosed
EP-0363236-A1 Pollen suppressant comprising a 5-oxy- or amino-substituted cinnoline HYBRINOVA (FR) 1990-04-11 EP disclosed