SCHEMBL31038187

SCHEMBL31038187

Cc1ccc(S(=O)(=O)c2nc3ccc(Cl)cc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.51
▸ LMNA P02545 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ HTT P42858 3/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 5/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ MAPT P10636 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ GAA P10253 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ FSCN1 Q16658 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ PKM P14618 1/20 0.42

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
SCHEMBL31038171 0.89 PPARA (0.47) CA2LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL11303683 0.86 ACP1 (0.46) CA2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL30539543 0.80 PSMB8 (0.58) CA2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL29092798 0.80 PSMB8 (0.58) CA2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL11076755 0.79 NPC1 (0.53) CA2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL14603109 0.77 NPC1 (0.50) CA2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL32679815 0.77 NPC1 (0.48) CA2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL10473137 0.76 CA2 (0.69) CA2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL8890882 0.75 NPC1 (0.45) CA2LMNASMN1; SMN2HTTALDH1A1
SCHEMBL11145458 0.73 ALDH1A1 (0.47) CA2LMNAALDH1A1HPGDKMT2A

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-118422223-A Method for electrochemically synthesizing 2-thiobenzothiazole compound 桂林医学院 2024-08-02 — — CN disclosed
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