SCHEMBL23645653

SCHEMBL23645653

Cc1cc(-c2c(F)c(F)c(-c3cccc(CNC(C)C)c3)c(P)c2F)cc(C(=O)O)c1C

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 6/20 0.61
PTGER4 P35408 3/20 0.37
FFAR1 O14842 5/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PARP1 P09874 1/20 0.34
MEP1B Q16820 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
PDCD1 Q15116 1/20 0.34

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
SCHEMBL23645587 0.81 DHODH (0.62) DHODHPARP1
SCHEMBL23644566 0.81 DHODH (0.50) DHODH
SCHEMBL24060234 0.79 DHODH (0.52) DHODHPARP1CD274PDCD1
SCHEMBL21905230 0.76 DHODH (1.00) DHODH
SCHEMBL23645726 0.75 DHODH (0.42) DHODHPTGER4FFAR1FFAR4
SCHEMBL15973487 0.74 DHODH (0.59) DHODHPARP1
SCHEMBL25939558 0.74 DHODH (0.59) DHODHFFAR1
SCHEMBL23645729 0.73 DHODH (0.56) DHODH
Trifluoroacetic Acid SCHEMBL26136771 0.72 DHODH (0.92) DHODH
SCHEMBL24060387 0.70 DHODH (0.50) DHODHPTGER4FFAR1FFAR4PARP1

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-3615027-B1 METHODS OF USE FOR TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2021-07-14 EP disclosed