SCHEMBL8034727

SCHEMBL8034727

CCC(CNC(C)=O)Nc1ccc(N)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 3/20 0.40
THRB P10828 2/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC1 Q13547 1/20 0.33
NPC1 O15118 1/20 0.33
ESR1 P03372 1/20 0.33
AR P10275 1/20 0.33
ESR2 Q92731 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL11139530 0.82 CYP3A4 (0.47) TDP1CYP3A4ALDH1A1THRBALOX15
SCHEMBL8036589 0.81 PKM (0.40) TDP1CYP3A4ALDH1A1THRBALOX15
SCHEMBL5888492 0.81 ALDH1A1 (0.41) TDP1CYP3A4ALDH1A1THRBALOX15
SCHEMBL4854335 0.80 ALDH1A1 (0.46) TDP1CYP3A4ALDH1A1THRBALOX15
SCHEMBL8024990 0.78 ALDH1A1 (0.37) TDP1CYP3A4ALDH1A1THRBALOX15
SCHEMBL4880809 0.77 ALOX15 (0.39) TDP1CYP3A4ALDH1A1THRBALOX15
SCHEMBL8040807 0.77 CYP3A4 (0.41) TDP1CYP3A4ALDH1A1THRBALOX15
SCHEMBL3863727 0.75 ALDH1A1 (0.50) TDP1CYP3A4ALDH1A1THRBALOX15
SCHEMBL9297193 0.74 TAS1R3 (0.41) TDP1CYP3A4ALDH1A1THRBALOX15
Hydrochloric Acid SCHEMBL3858550 0.73 ALDH1A1 (0.49) TDP1CYP3A4ALDH1A1THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6024769-A HAIR COLORS AND HAIR DYEING; RESISTANCE TO LIGHT, WASHINGS, PERSPIRATION AND ADVERSE WEATHER L'OREAL (FR) 2000-02-15 US claimed
EP-0663814-B1 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR OREAL (FR) 1999-04-28 EP claimed
EP-0424261-B1 Dyeing composition containing oxidation dyes precursors and aminoindole derivatives as coupling agent OREAL (FR) 1996-01-03 EP claimed
US-5279620-A Containg paraphenylenediamine, para-aminophenol and paraheterocyclic precursors L'OREAL (FR) 1994-01-18 US claimed
US-6024769-A HAIR COLORS AND HAIR DYEING; RESISTANCE TO LIGHT, WASHINGS, PERSPIRATION AND ADVERSE WEATHER L'OREAL (FR) 2000-02-15 US disclosed
US-5364414-A Hair dyes or oxidation color dyes L'OREAL (FR) 1994-11-15 US disclosed
US-5279620-A Containg paraphenylenediamine, para-aminophenol and paraheterocyclic precursors L'OREAL (FR) 1994-01-18 US disclosed