SCHEMBL9694459

SCHEMBL9694459

CNc1c(OC)cc(OC)c(NCCO)c1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 2/20 0.34
PDE5A O76074 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
POLB P06746 1/20 0.33
GBA1 P04062 2/20 0.32

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
SCHEMBL9694188 0.82 TNF (0.38) TNFHTTTSHRL3MBTL1MAPK1
Hydrochloric Acid SCHEMBL9757671 0.81 TNF (0.37) TNFHTTTSHRL3MBTL1MAPK1
SCHEMBL10437081 0.75 CA12 (0.42) TNFHTTTSHRMAPK1KMT2A
SCHEMBL454595 0.74 TNF (0.44) TNFHTTTSHRL3MBTL1MAPK1
SCHEMBL9792931 0.73 KDM4E (0.41) TNFHTTTSHRL3MBTL1MAPK1
SCHEMBL7805222 0.73 TSHR (0.40) TNFTSHRL3MBTL1KDM4EMAPT
SCHEMBL8031008 0.72 TSHR (0.39) TNFHTTTSHRL3MBTL1MAPK1
SCHEMBL9826827 0.72 ALDH1A1 (0.42) TNFHTTTSHRL3MBTL1KMT2A
Hydrochloric Acid SCHEMBL9793004 0.72 KDM4E (0.40) TNFHTTTSHRL3MBTL1KMT2A
SCHEMBL9525237 0.72 CYP3A4 (0.47) TNFKMT2AMAPTCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0370880-B1 TRIALKOXY-SUBSTITUTED M-PHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS COUPLING AGENTS IN THE OXIDATION DYEING OF KERATINIC FIBRES, ESPECIALLY HUMAN HAIR L'OREAL (FR) 1992-11-11 EP claimed
US-5002585-A HAIR DYES, USED WITH PHENYLENEDIAMINES, AMINOPHENOLS AND AMINOPYRIDINES L'OREAL (FR) 1991-03-26 US claimed
EP-0370880-A1 Trialkoxy-substituted m-phenylene diamines, process for their preparation, and their use as coupling agents in the oxidation dyeing of keratinic fibres, especially human hair L'OREAL (FR) 1990-05-30 EP claimed
EP-0370880-B1 TRIALKOXY-SUBSTITUTED M-PHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS COUPLING AGENTS IN THE OXIDATION DYEING OF KERATINIC FIBRES, ESPECIALLY HUMAN HAIR L'OREAL (FR) 1992-11-11 EP disclosed