SCHEMBL9502003

SCHEMBL9502003

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

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 18/20 0.70
PDE10A Q9Y233 1/20 0.52
AURKA O14965 1/20 0.50
KDR P35968 1/20 0.50
AURKB Q96GD4 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
SCHEMBL10584241 0.93 DHODH (0.76) DHODHPDE10AAURKAKDRAURKB
SCHEMBL9505820 0.92 DHODH (0.63) DHODHPDE10A
SCHEMBL9501990 0.90 DHODH (0.84) DHODHPDE10AAURKAKDRAURKB
SCHEMBL9501983 0.87 DHODH (0.74) DHODHPDE10A
SCHEMBL9503660 0.84 DHODH (0.78) DHODHPDE10AAURKAKDRAURKB
SCHEMBL18075840 0.83 DHODH (0.78) DHODHPDE10AAURKAKDRAURKB
SCHEMBL10583075 0.83 DHODH (1.00) DHODHPDE10AAURKAKDRAURKB
SCHEMBL10580471 0.83 DHODH (0.76) DHODHPDE10AAURKAKDRAURKB
SCHEMBL9505280 0.81 DHODH (0.81) DHODHPDE10A
SCHEMBL10582724 0.79 DHODH (0.71) DHODHAURKAKDRAURKB

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