SCHEMBL8793453

SCHEMBL8793453

CNc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.73
DHFR P00374 1/20 0.58
ALKBH5 Q6P6C2 1/20 0.58

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
SCHEMBL8792221 0.88 DHODH (0.70) DHODHDHFRALKBH5
SCHEMBL8792827 0.87 DHODH (0.71) DHODHDHFRALKBH5
SCHEMBL9502210 0.85 DHODH (1.00) DHODHDHFRALKBH5
SCHEMBL8792342 0.84 DHODH (0.65) DHODHDHFRALKBH5
SCHEMBL8732559 0.84 DHODH (1.00) DHODHDHFRALKBH5
SCHEMBL8792348 0.83 DHODH (0.64) DHODHDHFRALKBH5
SCHEMBL8794638 0.82 DHODH (0.57) DHODHDHFRALKBH5
SCHEMBL8792419 0.82 DHODH (1.00) DHODHDHFRALKBH5
SCHEMBL3894369 0.82 DHODH (0.95) DHODHDHFRALKBH5
SCHEMBL5908719 0.81 DHODH (0.95) DHODHDHFRALKBH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0379145-B1 Substituted quinolinecarboxylic acids AMERICAN CYANAMID CO (US) 1997-05-07 EP claimed
EP-0379145-A2 Substituted quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-25 EP claimed
EP-0648768-B1 Preparation of 3-dihaloacetyl oxazolidines MONSANTO CO (US) 1997-11-26 EP disclosed
EP-0379145-B1 Substituted quinolinecarboxylic acids AMERICAN CYANAMID CO (US) 1997-05-07 EP disclosed
US-5428172-A Preparation of 3-dihaloacetyl oxazolidines MONSANTO COMPANY (US) 1995-06-27 US disclosed
EP-0648768-A1 Preparation of 3-dihaloacetyl oxazolidines MONSANTO COMPANY (US) 1995-04-19 EP disclosed
EP-0379145-A2 Substituted quinolinecarboxylic acids AMERICAN CYANAMID COMPANY (US) 1990-07-25 EP disclosed