SCHEMBL9053932

SCHEMBL9053932

Cc1c(-c2ccc(-c3ccccc3O)cc2)nc2ccc(CCN)cc2c1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 18/20 0.59
DHFR P00374 1/20 0.59
ALKBH5 Q6P6C2 1/20 0.59
PDE10A Q9Y233 2/20 0.54

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
SCHEMBL9053927 0.92 DHODH (0.55) DHODHDHFRALKBH5PDE10A
SCHEMBL8686065 0.90 DHODH (0.74) DHODHDHFRALKBH5PDE10A
SCHEMBL9052974 0.89 DHODH (0.68) DHODHDHFRALKBH5PDE10A
SCHEMBL9052731 0.85 DHODH (0.60) DHODHDHFRALKBH5PDE10A
SCHEMBL8686055 0.84 DHODH (0.62) DHODHDHFRALKBH5PDE10A
SCHEMBL8686969 0.78 DHODH (0.52) DHODHDHFRALKBH5PDE10A
SCHEMBL17593892 0.77 DHODH (0.68) DHODHDHFRALKBH5PDE10A
Brequinar SCHEMBL23832490 0.74 DHODH (1.00) DHODHDHFRALKBH5PDE10A
Brequinar SCHEMBL49400 0.74 DHODH (1.00) DHODHDHFRALKBH5PDE10A
Brequinar SCHEMBL29688590 0.74 DHODH (1.00) DHODHDHFRALKBH5PDE10A

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-0702726-A1 IMMUNOASSAY REAGENTS AND METHODS FOR DETECTING BREQUINAR AND ANALOGS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-03-27 EP disclosed