SCHEMBL10352017

SCHEMBL10352017

CC(C)COc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
ATM Q13315 1/20 0.55
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
SCN8A Q9UQD0 2/20 0.46
SCN10A Q9Y5Y9 2/20 0.46
XDH P47989 2/20 0.44
CFTR P13569 1/20 0.42
CYP2C19 P33261 1/20 0.41
TLR8 Q9NR97 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40

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
SCHEMBL10352013 0.86 L3MBTL1 (0.55) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL10352661 0.84 L3MBTL1 (0.52) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL2241258 0.81 L3MBTL1 (0.72) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL8955586 0.80 ALDH1A1 (0.46) L3MBTL1MAPTLMNAATMALDH1A1
SCHEMBL3279070 0.80 ALDH1A1 (0.63) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL10352193 0.79 L3MBTL1 (0.60) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL14118324 0.79 SCN8A (0.46) ALDH1A1GAASCN8ASCN10AHTR2A
SCHEMBL1342095 0.78 ALDH1A1 (0.54) MAPTATMRAB9AALDH1A1GAA
SCHEMBL10352668 0.78 L3MBTL1 (0.55) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL11230604 0.78 ALDH1A1 (0.39) L3MBTL1MAPTLMNAATMRAB9A

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
EP-0300390-B1 TRIFLUOROMETHYL-ALKOXY-ANILIN, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE ICE-COLOUR TECHNIQUE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP disclosed
EP-0300390-A1 Trifluoromethyl-alkoxy-anilin, process for their preparation and their use in the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1989-01-25 EP disclosed