SCHEMBL8637313

SCHEMBL8637313

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.52
POLB P06746 4/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
ABHD16A O95870 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RARG P13631 1/20 0.40

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
SCHEMBL8641097 0.91 RORC (0.49) RORCPOLBTP53KMT2AMEN1
SCHEMBL9569710 0.89 RORC (0.46) RORCPOLBTP53KMT2AMAPT
SCHEMBL8636360 0.89 RORC (0.46) RORCPOLBTP53KMT2AMEN1
SCHEMBL8638653 0.87 KMT2A (0.43) RORCPOLBTP53KMT2AMEN1
SCHEMBL9569701 0.87 RORC (0.45) RORCTP53ALDH1A1L3MBTL1MAPT
SCHEMBL8830007 0.86 RORC (0.44) RORCPOLBTP53KMT2AMEN1
SCHEMBL8641122 0.85 RORC (0.41) RORCRXFP1TDP1RARG
SCHEMBL8639493 0.84 CCR2 (0.45) RORCTP53KMT2AMEN1ALDH1A1
SCHEMBL30310934 0.82 KMT2A (0.46) RORCKMT2AMEN1MAPTKDM4E
SCHEMBL26074802 0.82 KMT2A (0.46) RORCKMT2AMEN1MAPTKDM4E

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 4 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-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