SCHEMBL11273155

SCHEMBL11273155

NCCCNc1c(Cl)cc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 5/20 0.33
STK17B O94768 3/20 0.33
AR P10275 1/20 0.33
NR1H2 P55055 6/20 0.33
NR1H3 Q13133 6/20 0.33
GCK P35557 1/20 0.32
GCKR Q14397 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
RHOC P08134 1/20 0.32
RHOA P61586 1/20 0.32
POLB P06746 1/20 0.32
NR1I2 O75469 1/20 0.31
FERMT2 Q96AC1 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
SCHEMBL11273159 0.85 STK17A (0.32) STK17ASTK17BBCHEACHEPOLB
SCHEMBL11272364 0.83 NR1H2 (0.35) STK17ANR1H2NR1H3POLB
SCHEMBL11279678 0.78 AR (0.41) ARNR1H2NR1H3
SCHEMBL11262896 0.76 RORC (0.36) ARNR1H2NR1H3GCKGCKR
SCHEMBL16702836 0.75 AR (0.39) ARNR1H2NR1H3GCKGCKR
SCHEMBL11275694 0.75 STK17A (0.33) STK17ASTK17BBCHEACHEPOLB
SCHEMBL11268219 0.74 NR1H3 (0.38) ARNR1H2NR1H3POLB
SCHEMBL11264839 0.73 NR1H2 (0.35) ARNR1H2NR1H3
Hydrochloric Acid SCHEMBL28300035 0.72 MRGPRX4 (0.35) RHOCRHOAPOLB
SCHEMBL11356015 0.70 SMN1; SMN2 (0.35) STK17AARPOLB

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