SCHEMBL9477802

SCHEMBL9477802

Nc1cc(S(=O)(=O)O)c2cccc(S(=O)(=O)O)c2c1.Nc1cc2ccc(S(=O)(=O)O)cc2cc1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ CASP6 P55212 3/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ TTR P02766 1/20 0.48
▸ NT5E P21589 1/20 0.46
▸ SUMO2 P61956 3/20 0.41
▸ SUMO1 P63165 3/20 0.41
▸ SENP7 Q9BQF6 3/20 0.41
▸ SENP2 Q9HC62 3/20 0.41
▸ ATIC P31939 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PTPN11 Q06124 2/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL9423484 0.88 NT5E (0.55) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL9681117 0.84 ALDH1A1 (0.47) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL29575401 0.83 TTR (0.62) HSD17B10ALDH1A1CASP6TTRNT5E
SCHEMBL7651109 0.83 ALDH1A1 (0.62) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL1146228 0.83 ALDH1A1 (0.62) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL1755222 0.83 ALDH1A1 (0.62) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL29624161 0.83 ALDH1A1 (0.62) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL30639252 0.83 ALDH1A1 (0.62) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL6234368 0.82 NT5E (0.57) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19
SCHEMBL28071057 0.81 ALDH1A1 (0.60) HSD17B10ALDH1A1CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210187-A Cotton or wool, wet fastness BASF AKTIENGESELLSCHAFT (DE) 1993-05-11 — — US disclosed
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