SCHEMBL6897205

SCHEMBL6897205

Nc1cc(S(=O)(=O)O)ccc1-c1ccc(S(=O)(=O)O)cc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
HSD17B10 Q99714 4/20 0.67
CASP6 P55212 3/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TSHR P16473 3/20 0.54
NT5E P21589 3/20 0.54
TDP1 Q9NUW8 1/20 0.52
GAA P10253 3/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 2/20 0.50
MEN1 O00255 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
NSD2 O96028 2/20 0.47
PLCG1 P19174 1/20 0.47
DNMT1 P26358 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 3/20 0.47

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
SCHEMBL15747919 0.90 ALDH1A1 (0.56) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL10589728 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL7609573 0.85 ALDH1A1 (0.55) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL391971 0.84 ALDH1A1 (0.69) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL28975738 0.82 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
Sulfuric Acid SCHEMBL15094054 0.82 GAA (0.73) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL15771506 0.82 ALDH1A1 (0.51) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL342537 0.80 ALDH1A1 (0.64) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL29939025 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL156846 0.80 ALDH1A1 (1.00) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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-20040058216-A1 Organic ionic conductive membrane for fuel cell and method for making same COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-03-25 US claimed
US-20040058216-A1 Organic ionic conductive membrane for fuel cell and method for making same COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-03-25 US disclosed
US-4340536-A Chrome-complex dyes and the production and use thereof CIBA-GEIGY CORPORATION (US) 1982-07-20 US disclosed
US-4311641-A Chromium complexes of mixed azo compounds CIBA-GEIGY CORPORATION (US) 1982-01-19 US disclosed
US-4256633-A AZO DYES; AZOMETHINE DYES; WOOL, POLYAMIDES, AND LEATHER CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed