SCHEMBL8024990

SCHEMBL8024990

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
RECQL P46063 2/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37
NR3C1 P04150 3/20 0.33
S100B P04271 1/20 0.33
SKP2 Q13309 1/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 1/20 0.31
GRIA4 P48058 1/20 0.31
PGR P06401 2/20 0.31
NR3C2 P08235 2/20 0.31
CYP2C9 P11712 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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) ALDH1A1CYP3A4TDP1RECQLTHRB
SCHEMBL5888492 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1RECQLTHRB
SCHEMBL8034555 0.81 CA12 (0.38) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL8040807 0.80 CYP3A4 (0.41) ALDH1A1CYP3A4TDP1RECQLTHRB
SCHEMBL8351079 0.78 ALDH1A1 (0.37) ALDH1A1CYP3A4TDP1RECQLTHRB
SCHEMBL8034727 0.78 TDP1 (0.40) ALDH1A1CYP3A4TDP1RECQLTHRB
SCHEMBL4854335 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4TDP1RECQLTHRB
SCHEMBL10709762 0.76 ALDH1A1 (0.37) ALDH1A1CYP3A4TDP1RECQLTHRB
Sulfuric Acid SCHEMBL9488804 0.75 RECQL (0.38) ALDH1A1CYP3A4TDP1RECQLTHRB
SCHEMBL9365532 0.75 KEAP1 (0.44) ALDH1A1CYP3A4TDP1RECQLTHRB

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
US-5279620-A Containg paraphenylenediamine, para-aminophenol and paraheterocyclic precursors L'OREAL (FR) 1994-01-18 US claimed
US-4891045-A DYEING HAIR L'OREAL (FR) 1990-01-02 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