SCHEMBL9824124

SCHEMBL9824124

Cc1cc(O)cc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40
TP53 P04637 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPY5R Q15761 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL6555705 0.81 L3MBTL1 (0.46) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23465366 0.81 L3MBTL1 (0.46) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL14015103 0.81 MAPT (0.57) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL10073227 0.77 L3MBTL1 (0.53) L3MBTL1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL13061716 0.77 LMNA (0.76) L3MBTL1LMNACYP1A2SMN1; SMN2GAA
SCHEMBL8983946 0.77 PDK1 (0.48) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5987435 0.76 LMNA (0.50) LMNACYP1A2GAAMAPTALDH1A1
SCHEMBL28531138 0.76 NPSR1 (0.46) L3MBTL1LMNACYP1A2GAAMAPT
SCHEMBL5546919 0.75 L3MBTL1 (0.70) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL23060364 0.74 SMN1; SMN2 (0.51) L3MBTL1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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-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