SCHEMBL8940830

SCHEMBL8940830

CCOc1c(O)ccc(N)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
ESR2 Q92731 2/20 0.42
AR P10275 1/20 0.42
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCN5A Q14524 1/20 0.38
NPC1 O15118 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TLR4 O00206 1/20 0.37
GAA P10253 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL27750598 0.85 TLR4 (0.40) ESR1ESR2ARALDH1A1HSD17B10
SCHEMBL18152141 0.84 SCN5A (0.46) ESR1ESR2ARALDH1A1HSD17B10
SCHEMBL8671897 0.81 IDO1 (0.39) ESR1ESR2ARALDH1A1HSD17B10
SCHEMBL16372678 0.80 MEN1 (0.42) ESR1ESR2ARALDH1A1HSD17B10
SCHEMBL11062080 0.80 SCN5A (0.43) ESR1ESR2ARALDH1A1HSD17B10
SCHEMBL11131743 0.79 NQO1 (0.46) ESR1ESR2ARALDH1A1HSD17B10
SCHEMBL27081344 0.78 ALDH1A1 (0.41) ESR1ESR2ARALDH1A1HSD17B10
SCHEMBL854840 0.78 ALDH1A1 (0.44) ESR1ESR2ARALDH1A1HSD17B10
SCHEMBL24488781 0.75 ALDH1A1 (0.36) ESR1ESR2ARALDH1A1HSD17B10
SCHEMBL27600000 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591373-B1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD OREAL (FR) 1996-05-22 EP claimed
EP-0583435-B1 AGENT FOR THE OXIDATIVE COLOURING OF HAIR AND NOVEL 5-HALOGEN-2,4-BIS(ALKYLAMINO)-1-ALKYLBENZENES WELLA AG (DE) 1995-08-23 EP claimed
EP-0591373-A1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD. OREAL (FR) 1994-04-13 EP claimed
EP-0583435-A1 AGENT FOR THE OXIDATIVE COLOURING OF HAIR AND NOVEL 5-HALOGEN-2,4-BIS(ALKYLAMINO)-1-ALKYLBENZOLS. WELLA AG (DE) 1994-02-23 EP claimed
WO-1993016677-A1 AGENT FOR THE OXIDATIVE COLOURING OF HAIR AND NOVEL 5-HALOGEN-2,4-BIS(ALKYLAMINO)-1-ALKYLBENZOLS WELLA AKTIENGESELLSCHAFT (DE) 1993-09-02 WO claimed
WO-1993000066-A1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD L'OREAL (FR) 1993-01-07 WO claimed
EP-0502138-A1 OXIDATIVE HAIR-DYEING AGENT AND NEW 5-HALO-2,4-DIAMINOALKYLBENZENES. WELLA AG (DE) 1992-09-09 EP claimed
WO-1992004005-A1 OXIDATIVE HAIR-DYEING AGENT AND NEW 5-HALO-2,4-DIAMINOALKYLBENZENES WELLA AKTIENGESELLSCHAFT (DE) 1992-03-19 WO claimed
US-5534037-A Dye composition for keratinic fibres containing sulfured metaphenylenediamines, dyeing process and new sulfured metaphenylenediamines and preparation method thereof L'OREAL (FR) 1996-07-09 US disclosed
US-5409503-A High color intensity red shades WELLA AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed