SCHEMBL13995003

SCHEMBL13995003

Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)O)cc3ccc(N)cc23)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.66
▸ NT5E P21589 2/20 0.53
▸ ALDH1A1 P00352 5/20 0.46
▸ CASP6 P55212 3/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ NSD2 O96028 1/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ SNCA P37840 1/20 0.43
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL13852028 0.85 CYP1A2 (0.67) CYP1A2NT5EALDH1A1CASP6CYP2C9
SCHEMBL6123746 0.83 CYP1A2 (0.63) CYP1A2ALDH1A1CYP2C9KMT2AMEN1
SCHEMBL13994998 0.80 CYP1A2 (1.00) CYP1A2NT5EALDH1A1CASP6CYP2C9
SCHEMBL13852022 0.79 CYP1A2 (0.58) CYP1A2NT5EALDH1A1CASP6CYP2C9
SCHEMBL6123763 0.78 CYP1A2 (0.62) CYP1A2ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL6741027 0.77 CYP1A2 (0.61) CYP1A2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL6123917 0.77 CYP1A2 (0.61) CYP1A2ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL6111641 0.75 MEN1 (0.56) CYP1A2ALDH1A1CYP2C19KMT2AMEN1
SCHEMBL4927181 0.75 CYP1A2 (0.62) CYP1A2ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL10935877 0.73 CYP1A2 (0.57) CYP1A2NT5EALDH1A1CASP6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 — — US disclosed
US-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 — — US disclosed
EP-1602695-B1 WATER-BASE BLACK INK COMPOSITION AND COLORED MATERIAL NIPPON KAYAKU KK (JP) 2008-04-23 — — EP 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
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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