SCHEMBL9069744

SCHEMBL9069744

Cc1cc(Cl)c(NCCO)cc1NCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
BRD4 O60885 1/20 0.38
CYP2C19 P33261 3/20 0.37
TSHR P16473 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 3/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
GLA P06280 2/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL6261455 0.86 MEN1 (0.45) GAAMEN1KMT2AMAPK1BRD4
SCHEMBL10364119 0.85 RET (0.37) GAAMEN1KMT2AMAPK1BRD4
SCHEMBL8874564 0.84 CYP2C19 (0.39) GAAMEN1KMT2AMAPK1BRD4
SCHEMBL8874741 0.84 CYP2C19 (0.39) GAAMEN1KMT2AMAPK1BRD4
Hydrochloric Acid SCHEMBL8873600 0.82 GAA (0.39) GAAMEN1KMT2AMAPK1BRD4
SCHEMBL8873894 0.77 MAPT (0.48) MEN1KMT2ATSHRCYP1A2POLB
SCHEMBL9070350 0.77 MEN1 (0.39) GAAMEN1KMT2AMAPK1BRD4
SCHEMBL23706335 0.74 MEN1 (0.40) GAAMEN1KMT2AMAPK1BRD4
SCHEMBL11381655 0.74 HPGD (0.44) GAAMEN1KMT2AMAPK1CYP2C19
SCHEMBL2834179 0.74 MAPT (0.46) MEN1KMT2ATSHRALDH1A1MAPT

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
US-5542953-A COUPLERS WITH IMPROVED WATER SOLUBILITY, SHELF STABILITY; COLORFAST HAIR DYES WITH VARIETY OF SHADES WELLA AG (DE) 1996-08-06 US 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
US-5542953-A COUPLERS WITH IMPROVED WATER SOLUBILITY, SHELF STABILITY; COLORFAST HAIR DYES WITH VARIETY OF SHADES WELLA AG (DE) 1996-08-06 US disclosed
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 disclosed
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 disclosed
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 disclosed