SCHEMBL29973129

SCHEMBL29973129

Nc1ccc(Nc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 11/20 0.62
▸ FFAR1 O14842 3/20 0.62
▸ IDO1 P14902 1/20 0.46
▸ AR P10275 1/20 0.43
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ SCN9A Q15858 2/20 0.41
▸ KDR P35968 1/20 0.39
▸ STK17A Q9UEE5 1/20 0.39
▸ CDK1 P06493 1/20 0.38

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
SCHEMBL29972896 0.84 FFAR4 (0.61) FFAR4FFAR1IDO1AR
SCHEMBL29365746 0.79 FFAR4 (0.53) FFAR4FFAR1
SCHEMBL184916 0.79 FFAR4 (0.53) FFAR4FFAR1
Hydrochloric Acid SCHEMBL4377516 0.77 FFAR4 (0.51) FFAR4FFAR1
Fluoride SCHEMBL10888732 0.77 FFAR4 (0.51) FFAR4FFAR1
SCHEMBL29972924 0.75 FFAR4 (0.49) FFAR4FFAR1RAPGEF4
SCHEMBL28255467 0.73 CYP3A4 (0.68) SCN9A
SCHEMBL11056642 0.72 FFAR1 (0.48) FFAR4FFAR1
SCHEMBL38659445 0.72 AR (0.60) FFAR4FFAR1AR
SCHEMBL5903416 0.72 AR (0.60) FFAR4FFAR1AR

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-4081199-A2 LIPOXYGENASE INHIBITORS SRI International (US) 2022-11-02 — — EP disclosed
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