SCHEMBL9505258

SCHEMBL9505258

CCCCC(=O)Oc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.69
PDE10A Q9Y233 1/20 0.52
DHFR P00374 1/20 0.50
ALKBH5 Q6P6C2 1/20 0.50

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
SCHEMBL10559127 0.97 DHODH (0.67) DHODHPDE10ADHFRALKBH5
SCHEMBL9501944 0.82 DHODH (0.59) DHODHPDE10A
SCHEMBL9505314 0.81 DHODH (0.74) DHODHPDE10ADHFRALKBH5
SCHEMBL9501970 0.81 DHODH (0.74) DHODHPDE10ADHFRALKBH5
SCHEMBL8732559 0.76 DHODH (1.00) DHODHDHFRALKBH5
SCHEMBL8792827 0.75 DHODH (0.71) DHODHPDE10ADHFRALKBH5
SCHEMBL9502210 0.74 DHODH (1.00) DHODHPDE10ADHFRALKBH5
SCHEMBL8792419 0.74 DHODH (1.00) DHODHDHFRALKBH5
SCHEMBL5908719 0.73 DHODH (0.95) DHODHPDE10ADHFRALKBH5
SCHEMBL29370975 0.73 KMT2A (0.49)

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-0305952-B1 SUBSTITUTED 2-PHENYL-4-QUINOLINE-CARBOXYLIC ACIDS AMERICAN CYANAMID COMPANY (US) 1993-06-02 EP disclosed
US-4847381-A ANTIARTHRITIC AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0305952-A1 Substituted 2-phenyl-4-quinoline-carboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP disclosed