SCHEMBL8034555

SCHEMBL8034555

CCC(CNS(C)(=O)=O)Nc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.38
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA9 Q16790 6/20 0.38
GRIA4 P48058 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C9 P11712 1/20 0.34

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
SCHEMBL9365532 0.84 KEAP1 (0.44) GRIA4GAAL3MBTL1ALDH1A1TP53
SCHEMBL10887757 0.84 GRIA4 (0.34) CA12CA1CA2CA9GRIA4
Hydrochloric Acid SCHEMBL10887735 0.81 GRIA4 (0.33) CA12CA1CA2CA9GRIA4
SCHEMBL8024990 0.81 ALDH1A1 (0.37) CA1CA2GRIA4ALDH1A1CYP3A4
SCHEMBL21799857 0.79 ALDH1A1 (0.48) CA12CA1CA2CA9GAA
SCHEMBL8024942 0.76 PKM (0.37) CA12CA1CA2CA9GAA
SCHEMBL8036589 0.75 PKM (0.40) GAAL3MBTL1ALDH1A1TP53HSP90AA1
SCHEMBL6671578 0.73 FYN (0.52) GAAL3MBTL1ALDH1A1TP53HSP90AA1
SCHEMBL21799960 0.73 ALDH1A1 (0.42) CA12CA1CA2CA9GAA
SCHEMBL459453 0.73 FYN (0.52) GAAL3MBTL1ALDH1A1TP53HSP90AA1

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-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-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