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SCHEMBL11279682

SCHEMBL11279682

N#CCCNc1c(Cl)cc(C(F)(F)C(O)(F)C(F)(F)F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ AR P10275 5/20 0.34
▸ HTT P42858 1/20 0.34
▸ GAA P10253 3/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11279678 0.86 AR (0.41) THRBARHTTGAAALDH1A1
SCHEMBL11267621 0.84 HTT (0.44) THRBHTTGAAALDH1A1
SCHEMBL11273159 0.79 STK17A (0.32) —
SCHEMBL11268221 0.74 CDC25A (0.33) HTTGAAALDH1A1
SCHEMBL11262905 0.73 MEN1 (0.33) HTTGAAALDH1A1
SCHEMBL11264799 0.72 HTT (0.40) THRBARHTTGAAALDH1A1
SCHEMBL11267619 0.70 HTT (0.46) THRBARHTTGAAALDH1A1
SCHEMBL5746321 0.68 GAA (0.34) THRBHTTGAAALDH1A1
SCHEMBL11278022 0.68 HTT (0.44) THRBHTTGAAALDH1A1
Hydrochloric Acid SCHEMBL11266399 0.67 ACHE (0.30) AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4322434-A N-Substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto SCHERING CORPORATION (US) 1982-03-30 — — US disclosed
US-4267193-A N-substituted-4-(polyfluoro-2-hydroxy-2-propyl)anilines and compounds related thereto SCHERING CORPORATION (US) 1981-05-12 — — US disclosed