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SCHEMBL11264799

SCHEMBL11264799

Cc1cc(C(F)(F)C(O)(F)C(F)(F)F)c(C)c(C)c1NCCC#N

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ AR P10275 2/20 0.33
▸ GAA P10253 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL11264791 0.87 HTT (0.42) HTTTHRBARGAAALDH1A1
SCHEMBL11267621 0.84 HTT (0.44) HTTTHRBGAAALDH1A1
SCHEMBL11356017 0.81 STK17A (0.33) ALDH1A1
SCHEMBL11267619 0.75 HTT (0.46) HTTTHRBARGAAALDH1A1
SCHEMBL11279682 0.72 THRB (0.36) HTTTHRBARGAAALDH1A1
SCHEMBL11278022 0.70 HTT (0.44) HTTTHRBGAAALDH1A1
SCHEMBL11356015 0.67 SMN1; SMN2 (0.35) AR
SCHEMBL11276954 0.66 IL1B (0.35) ARGAAALDH1A1
SCHEMBL11264841 0.65 KDM4E (0.31) AR
Hydrochloric Acid SCHEMBL11266399 0.64 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