SCHEMBL9502242

SCHEMBL9502242

CC(=O)Oc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cc2c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.63
PRNP P04156 1/20 0.53
PPARG P37231 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
AURKA O14965 1/20 0.52
KDR P35968 1/20 0.52
AURKB Q96GD4 1/20 0.52
PTGFR P43088 3/20 0.51
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL9502807 0.86 DHODH (0.64) DHODHPOLB
SCHEMBL9502835 0.86 POLB (0.49) DHODHPRNPPPARGRXFP1NR2E3
SCHEMBL5498214 0.83 PDE10A (0.62) DHODHPOLB
SCHEMBL8794348 0.80 DHODH (0.74) DHODHPRNPPPARGRXFP1NR2E3
SCHEMBL9503660 0.80 DHODH (0.78) DHODHPRNPPPARGRXFP1NR2E3
SCHEMBL14553160 0.78 DHODH (0.73) DHODHPRNPPPARGRXFP1NR2E3
SCHEMBL17594286 0.78 PTGFR (0.65) DHODHPRNPPPARGRXFP1NR2E3
Hydrochloric Acid SCHEMBL28389865 0.77 DHODH (0.71) DHODHPRNPPPARGRXFP1NR2E3
SCHEMBL18075840 0.77 DHODH (0.78) DHODHPRNPPPARGRXFP1NR2E3
SCHEMBL22919495 0.77 LMNA (0.70) DHODHPRNPPPARGRXFP1NR2E3

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