SCHEMBL8944287

SCHEMBL8944287

Nc1cc(N)c(OCCO)c(OCCO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
LOX P28300 1/20 0.36
AOC3 Q16853 1/20 0.36
TUBB1 Q9H4B7 1/20 0.33
IDO1 P14902 1/20 0.33
PRSS1 P07477 8/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL21048195 0.82 KMT2A (0.38) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL1327532 0.77 TUBB1 (0.46) ALDH1A1KDM4EMAPTGAAHTT
SCHEMBL9522785 0.74 LOX (0.42) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL13753698 0.74 PRSS1 (0.42) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL29393081 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL33692 0.74 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL29358757 0.74 MAPT (0.65) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL35916 0.74 MAPT (0.65) ALDH1A1KDM4EKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL9723216 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL15301977 0.73 MAPT (0.49) ALDH1A1KDM4EKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5503640-A ALKYLTHIO PARA-AMINOPHENOLS IN AQUEOUS VEHICLE FOR DYEING HUMAN HAIR L'OREAL (FR) 1996-04-02 US disclosed
US-5364413-A Oxidation color dyes for hair L'OREAL (FR) 1994-11-15 US disclosed
US-5344464-A Hair dyes with para-phenylenediamine and N,N*-diphenyl-alkylenediamine dye precursors for keratin fibers L'OREAL (FR) 1994-09-06 US disclosed
US-5202487-A Oxidation or permanent dye precursors L'OREAL (FR) 1993-04-13 US disclosed
EP-0360644-B1 OXIDATION DYEING COMPOSITION CONTAINING AT LEAST ONE DOUBLE AND AT LEAST ONE SINGLE DYEING BASE, AND DYEING PROCESS MAKING USE OF SUCH A COMPOSITION L'OREAL (FR) 1993-02-17 EP disclosed
US-5145483-A Hair dyes L'OREAL (FR) 1992-09-08 US disclosed
US-5137538-A P-Phenylenediamine and N,N'-diphenylalkylenediamines; uniform color on bleached or permed hair L'OREAL (FR) 1992-08-11 US disclosed
US-5084067-A Indoaniline dyes for hair dyes L'OREAL (FR) 1992-01-28 US disclosed
US-5053052-A Washfast, lightfast oxidation color dyes L'OREAL (FR) 1991-10-01 US disclosed