SCHEMBL9503660

SCHEMBL9503660

O=C(O)c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cc12

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.78
PDE10A Q9Y233 1/20 0.67
PTGFR P43088 1/20 0.58
PRNP P04156 1/20 0.56
PPARG P37231 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NR2E3 Q9Y5X4 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
AURKA O14965 1/20 0.55
KDR P35968 1/20 0.55
AURKB Q96GD4 1/20 0.55

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
SCHEMBL18075840 0.97 DHODH (0.78) DHODHPDE10APTGFRPRNPPPARG
SCHEMBL9501990 0.93 DHODH (0.84) DHODHPDE10AAURKAKDRAURKB
SCHEMBL10581403 0.89 DHODH (0.70) DHODHPDE10APTGFRAURKAKDR
SCHEMBL10583026 0.89 DHODH (0.78) DHODHPDE10APTGFRAURKAKDR
SCHEMBL10584241 0.88 DHODH (0.76) DHODHPDE10APTGFRAURKAKDR
SCHEMBL10580471 0.88 DHODH (0.76) DHODHPDE10APTGFRAURKAKDR
SCHEMBL10583075 0.88 DHODH (1.00) DHODHPDE10AAURKAKDRAURKB
SCHEMBL8794348 0.86 DHODH (0.74) DHODHPTGFRPRNPPPARGRXFP1
SCHEMBL10582724 0.86 DHODH (0.71) DHODHAURKAKDRAURKB
SCHEMBL9505280 0.86 DHODH (0.81) DHODHPDE10A

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 2 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
EP-0305952-A1 Substituted 2-phenyl-4-quinoline-carboxylic acids AMERICAN CYANAMID COMPANY (US) 1989-03-08 EP disclosed