SCHEMBL9502231

SCHEMBL9502231

O=C(O)Oc1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 20/20 0.67
DHFR P00374 1/20 0.46
ALKBH5 Q6P6C2 1/20 0.46

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
SCHEMBL9502259 0.88 DHODH (0.55) DHODH
SCHEMBL8794498 0.88 DHODH (0.67) DHODHDHFRALKBH5
SCHEMBL8732564 0.86 DHODH (0.68) DHODHDHFRALKBH5
SCHEMBL17594047 0.84 DHODH (0.64) DHODHDHFRALKBH5
SCHEMBL8794638 0.83 DHODH (0.57) DHODHDHFRALKBH5
SCHEMBL8793708 0.83 DHODH (0.57) DHODHDHFRALKBH5
SCHEMBL18075841 0.83 DHODH (0.51) DHODH
SCHEMBL8793853 0.82 DHODH (0.60) DHODH
SCHEMBL5497084 0.81 DHODH (0.60) DHODH
SCHEMBL9502210 0.81 DHODH (1.00) 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 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