SCHEMBL8403273

SCHEMBL8403273

Cc1c(O)cccc1NC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
JAK2 O60674 1/20 0.48
KLK7 P49862 1/20 0.48
LMNA P02545 3/20 0.46
NPC1 O15118 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PARP14 Q460N5 1/20 0.46
POLB P06746 1/20 0.44
PDK1 Q15118 5/20 0.44
PDK2 Q15119 5/20 0.44
PDK3 Q15120 5/20 0.44
PDK4 Q16654 5/20 0.44
TRPA1 O75762 1/20 0.44
ATM Q13315 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL6029980 0.84 PDK1 (0.53) HTTMAPTTP53JAK2KLK7
SCHEMBL6367216 0.83 SMN1; SMN2 (0.56) HTTMAPTTP53JAK2KLK7
SCHEMBL7299817 0.82 GAA (0.56) HTTMAPTTP53JAK2KLK7
SCHEMBL994038 0.81 PDK1 (0.53) HTTMAPTTP53JAK2KLK7
SCHEMBL18010920 0.80 HSD17B10 (0.53) HTTMAPTTP53LMNANPC1
SCHEMBL5725423 0.78 ALDH1A1 (0.57) HTTMAPTTP53LMNANPC1
SCHEMBL28316791 0.78 POLB (0.57) HTTMAPTTP53JAK2KLK7
SCHEMBL10562497 0.77 MAPT (0.46) HTTMAPTTP53JAK2KLK7
SCHEMBL8203681 0.77 MAPT (0.41) HTTMAPTTP53JAK2KLK7
SCHEMBL914296 0.77 PDK1 (0.70) HTTMAPTTP53JAK2KLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965595-A SIDE EFFECT REDUCTION; TREATING NASAL CONGESTION AND OTHER ALPHA-2 ADRENORECEPTOR MODULATED DISORDERS, WILL NOT CAUSE HYPERTENSION THE PROCTER & GAMBLE COMPANY (US) 1999-10-12 US disclosed
US-5914342-A 2-imidazolinylamino heterocyclic compounds useful as alpha-2 adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1999-06-22 US disclosed
US-5663189-A RESPIRATORY, EYES, GASTROINTESTINAL THE PROCTER & GAMBLE COMPANY (US) 1997-09-02 US disclosed
EP-0269914-B1 COMPOSITION AND PROCESS FOR THE OXIDATIVE DYEING OF HAIR ON THE BASIS OF 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES, AND 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 1991-06-12 EP disclosed
WO-1988004166-A1 HAIR DYEING OXIDISING AGENT AND PROCESS WITH 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES AND NEW 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES WELLA AKTIENGESELLSCHAFT (DE) 1988-06-16 WO disclosed