SCHEMBL9824085

SCHEMBL9824085

Cc1c(O)cccc1NCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ MAPT P10636 5/20 0.45
▸ TP53 P04637 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HTT P42858 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ LMNA P02545 3/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL7159843 0.81 MAPT (0.48) MAPTTP53GAAHSD17B10MAPK1
SCHEMBL3194480 0.77 MAPT (0.50) TRPA1ATMMAPTTP53GAA
SCHEMBL7574426 0.75 CYP3A4 (0.33) MAPTTP53GAAHSD17B10MAPK1
SCHEMBL29442601 0.74 MAPT (0.47) TRPA1ATMMAPTTP53GAA
SCHEMBL453906 0.74 MAPT (0.47) TRPA1ATMMAPTTP53GAA
SCHEMBL27681062 0.74 IDO1 (0.51) TRPA1ATMMAPTTP53GAA
SCHEMBL18235917 0.73 MAPT (0.59) MAPTGAAMAPK1ALDH1A1KMT2A
SCHEMBL7938078 0.72 TRPA1 (0.54) TRPA1ATMMAPTTP53GAA
SCHEMBL38650812 0.71 PARP1 (0.45) TRPA1ATMMAPTTP53GAA
SCHEMBL5809523 0.71 MAPT (0.47) TRPA1ATMMAPTTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-4923479-A HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 1990-05-08 — — US claimed
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 claimed
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
US-4923479-A HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 1990-05-08 — — US 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
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