SCHEMBL110153

SCHEMBL110153

CC(=O)Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3ccccc3C)c(O)c12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 8/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CYP2C9 P11712 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ DNASE1L3 Q13609 1/20 0.55
▸ FUT8 Q9BYC5 1/20 0.54
▸ PHLPP2 Q6ZVD8 1/20 0.52
▸ PRMT1 Q99873 2/20 0.52
▸ CA2 P00918 1/20 0.48
▸ CA3 P07451 1/20 0.48
▸ PRMT3 O60678 1/20 0.46
▸ EP300 Q09472 1/20 0.46
▸ PRMT6 Q96LA8 1/20 0.46
▸ APEX1 P27695 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ HIF1A Q16665 2/20 0.44

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
SCHEMBL1139743 1.00 ENPP2 (0.56) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL185815 1.00 ENPP2 (0.56) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL185813 0.99 ENPP2 (0.55) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL27732032 0.99 ENPP2 (0.55) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL16220629 0.88 ENPP2 (0.51) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL14440807 0.88 ENPP2 (0.58) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL12954923 0.87 ENPP2 (0.68) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL10050360 0.87 ENPP2 (0.68) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL29377239 0.87 PTPN1 (0.57) ENPP2CYP1A2MEN1HTTKMT2A
SCHEMBL4807909 0.87 PTPN1 (0.57) ENPP2CYP1A2MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017093558-A1 NOVEL ANIONIC DYES CONTAINING A DISULFIDE HETEROCYCLIC UNIT, DYECOMPOSITION COMPRISING THEM AND PROCESS FOR DYEING HUMAN KERATIN MATERIALS USING THESE DYES L'OREAL (FR) 2017-06-08 — — WO disclosed
EP-2424491-B1 FILM FORMER IN HAIR COLOURS HENKEL AG & CO KGAA (DE) 2017-05-24 — — EP disclosed
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 — — EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 — — WO disclosed
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