SCHEMBL9052974

SCHEMBL9052974

Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(CCN)cc2c1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 17/20 0.68
PDE10A Q9Y233 2/20 0.61
TSHR P16473 1/20 0.59
DHFR P00374 1/20 0.56
ALKBH5 Q6P6C2 1/20 0.56

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 0.89 DHODH (0.55) DHODHPDE10ATSHRDHFRALKBH5
SCHEMBL9053932 0.89 DHODH (0.59) DHODHPDE10ADHFRALKBH5
SCHEMBL8686065 0.89 DHODH (0.74) DHODHPDE10ADHFRALKBH5
SCHEMBL9052731 0.88 DHODH (0.60) DHODHPDE10ADHFRALKBH5
SCHEMBL17593892 0.84 DHODH (0.68) DHODHPDE10ATSHRDHFRALKBH5
SCHEMBL8686055 0.83 DHODH (0.62) DHODHPDE10ADHFRALKBH5
SCHEMBL8732559 0.79 DHODH (1.00) DHODHDHFRALKBH5
SCHEMBL5425219 0.79 DHODH (0.72) DHODHPDE10ATSHRDHFRALKBH5
SCHEMBL8686969 0.79 DHODH (0.52) DHODHPDE10ADHFRALKBH5
SCHEMBL17594005 0.79 DHODH (0.94) DHODHPDE10ATSHRDHFRALKBH5

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