SCHEMBL13852028

SCHEMBL13852028

Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N)cc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.67
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CASP6 P55212 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ HIF1A Q16665 1/20 0.39
▸ SNCA P37840 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SUMO2 P61956 1/20 0.37
▸ SUMO1 P63165 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP3 Q9H4L4 1/20 0.37
▸ SENP2 Q9HC62 1/20 0.37

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
SCHEMBL13995003 0.85 CYP1A2 (0.66) CYP1A2ALDH1A1CYP2C19CYP2C9CASP6
SCHEMBL13852022 0.82 CYP1A2 (0.58) CYP1A2ALDH1A1CYP2C19CYP2C9CASP6
SCHEMBL6123746 0.81 CYP1A2 (0.63) CYP1A2ALDH1A1CYP2C9KMT2AMEN1
SCHEMBL13994998 0.80 CYP1A2 (1.00) CYP1A2ALDH1A1CYP2C19CYP2C9CASP6
SCHEMBL6123763 0.78 CYP1A2 (0.62) CYP1A2ALDH1A1CYP2C19CYP2C9CASP6
SCHEMBL14400903 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1CYP2C19CYP2C9CASP6
SCHEMBL6123917 0.77 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C19CYP2C9CASP6
SCHEMBL9461702 0.74 CA2 (0.42) CYP1A2ALDH1A1CYP2C19CYP2C9CASP6
SCHEMBL10935877 0.74 CYP1A2 (0.57) CYP1A2ALDH1A1CYP2C19CYP2C9CASP6
SCHEMBL4927181 0.73 CYP1A2 (0.62) CYP1A2ALDH1A1CYP2C19CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118479-A1 Azo compound, ink composition, recording method and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-07 — — US disclosed
US-20070227388-A1 Tetrakisazo Compound, Coloring Matter for Recording, Ink Composition and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-10-04 — — US disclosed
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