SCHEMBL9309281

SCHEMBL9309281

CC(=O)Nc1ccc2cc(S(=O)(=O)O)cc(O)c2c1S(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 4/20 0.51
▸ APEX1 P27695 1/20 0.48
▸ NT5E P21589 3/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NSD2 O96028 3/20 0.41
▸ CASR P41180 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ DUSP3 P51452 2/20 0.39
▸ PTPN5 P54829 2/20 0.39
▸ PTPN11 Q06124 2/20 0.39

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
SCHEMBL7720121 0.82 CASP6 (0.67) CASP6APEX1NT5EPRMT1CA1
SCHEMBL29575995 0.81 APEX1 (0.64) CASP6APEX1NT5EPRMT1CA1
SCHEMBL29516436 0.81 APEX1 (0.64) CASP6APEX1NT5EPRMT1CA1
SCHEMBL1413179 0.81 APEX1 (0.64) CASP6APEX1NT5EPRMT1CA1
SCHEMBL5147103 0.80 APEX1 (0.63) CASP6APEX1NT5EPRMT1CA1
SCHEMBL8010537 0.80 APEX1 (0.63) CASP6APEX1NT5EPRMT1CA1
SCHEMBL1803722 0.80 CASP6 (0.52) CASP6NT5EPRMT1CA1CA2
SCHEMBL9013054 0.78 CASP6 (0.48) CASP6APEX1NT5EPRMT1CA2
SCHEMBL11773973 0.77 CASP6 (0.59) CASP6APEX1NT5EPRMT1CA1
Phenol SCHEMBL11600632 0.76 APEX1 (0.69) CASP6APEX1NT5EPRMT1CA1

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-5298607-A Reactive dyes for cotton CIBA-GEIGY CORPORATION (US) 1994-03-29 — — US disclosed
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