SCHEMBL31520132

SCHEMBL31520132

CCc1ccc(C(=O)Nc2ccccc2S(=O)(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ HDAC3 O15379 3/20 0.54
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ NCOR1 O75376 1/20 0.54
▸ SLC16A3 O15427 1/20 0.52
▸ PPARA Q07869 1/20 0.52
▸ NR1H4 Q96RI1 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ PLK1 P53350 3/20 0.50
▸ CD40 P25942 1/20 0.48
▸ CD40LG P29965 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL10035663 0.89 SENP8 (0.55) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL2893166 0.84 MDM4 (0.56) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL31520127 0.84 MDM4 (0.56) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL12630734 0.82 CA1 (0.49) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL15922175 0.82 CA1 (0.57) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL6241585 0.81 TIMP3 (0.56) CA1CA2HDAC3HDAC1HDAC2
SCHEMBL13754021 0.80 POLB (0.70) HDAC3HDAC1HDAC2NCOR1SLC16A3
SCHEMBL11699043 0.80 NPC1 (0.64) HDAC3HDAC1HDAC2NCOR1SLC16A3
SCHEMBL2733350 0.79 HDAC1 (0.80) HDAC3HDAC1HDAC2NCOR1HDAC4
SCHEMBL12669228 0.78 CA1 (0.50) CA1CA2HDAC3HDAC1HDAC2

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
CN-119913222-A Method for continuously preparing benzenesulfonic acid compound by electrochemical-enzymatic coupling 南京工业大学 2025-05-02 — — CN disclosed
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