SCHEMBL9502835

SCHEMBL9502835

CC(=O)Oc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cc2c1OC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
DHODH Q02127 2/20 0.48
PRNP P04156 2/20 0.47
ALDH1A1 P00352 1/20 0.46
PTGFR P43088 8/20 0.46
RXFP1 Q9HBX9 5/20 0.44
PPARG P37231 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL9505833 0.86 DHODH (0.50) DHODHALDH1A1MAPT
SCHEMBL9502242 0.86 DHODH (0.63) POLBDHODHPRNPALDH1A1PTGFR
SCHEMBL8794351 0.84 DHODH (0.49) POLBDHODHPRNPALDH1A1PTGFR
SCHEMBL17594351 0.83 PTGFR (0.53) POLBPRNPALDH1A1PTGFRRXFP1
SCHEMBL18075841 0.81 DHODH (0.51) POLBDHODHPRNPALDH1A1PTGFR
SCHEMBL17594288 0.81 PTGFR (0.51) POLBDHODHPRNPALDH1A1PTGFR
SCHEMBL17593967 0.81 PTGFR (0.52) POLBDHODHPRNPALDH1A1PTGFR
SCHEMBL17594086 0.80 PTGFR (0.50) POLBDHODHPRNPALDH1A1PTGFR
SCHEMBL18075787 0.80 PTGFR (0.53) POLBDHODHPRNPALDH1A1PTGFR
SCHEMBL17593897 0.79 PTGFR (0.53) POLBPRNPALDH1A1PTGFRRXFP1

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 1 patent. 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