SCHEMBL8730759

SCHEMBL8730759

Cc1c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc2c1OC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.72
DHFR P00374 1/20 0.53
ALKBH5 Q6P6C2 1/20 0.53
PDE10A Q9Y233 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
SCHEMBL8732564 0.92 DHODH (0.68) DHODHDHFRALKBH5
SCHEMBL17594047 0.92 DHODH (0.64) DHODHDHFRALKBH5PDE10A
SCHEMBL6670043 0.87 DHODH (0.71) DHODHDHFRALKBH5PDE10A
SCHEMBL8730774 0.85 DHODH (0.65) DHODHDHFRALKBH5
SCHEMBL8730755 0.84 DHODH (1.00) DHODHDHFRALKBH5PDE10A
SCHEMBL17594377 0.82 DHODH (0.56) DHODHDHFRALKBH5
SCHEMBL8514932 0.80 DHODH (0.49) DHODHPDE10A
SCHEMBL17593849 0.80 PTGFR (0.56) DHODHPDE10A
SCHEMBL17594006 0.79 DHODH (0.62) DHODHPDE10A
SCHEMBL9502231 0.79 DHODH (0.67) DHODHDHFRALKBH5

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-0537191-B1 TREATMENT OF ORGAN TRANSPLANTATION REJECTION DU PONT MERCK PHARMA (US) 1998-04-29 EP claimed
EP-0339485-B1 4-QUINOLINE CARBOXYLIC ACID DERIVATIVES USEFUL AS IMMUNOSUPPRESSIVE AGENTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-31 EP claimed
EP-0339484-B1 4-QUINOLINE CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING SKIN AND MUCO-EPITHELIAL DISEASES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-01-20 EP claimed
EP-0133244-B1 PHENYLQUINOLINECARBOXYLIC ACIDS AND DERIVATIVES AS ANTITUMOR AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-12-05 EP claimed