SCHEMBL11200209

SCHEMBL11200209

O=S(=O)(c1nc2ccccc2s1)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.51
▸ PSMB8 P28062 1/20 0.48
▸ PSMB5 P28074 1/20 0.48
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ MAOB P27338 1/20 0.43
▸ KMT2A Q03164 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28143745 0.88 PSMB8 (0.48) PSMB8PSMB5CA12CA1CA2
SCHEMBL1920958 0.84 PSMB8 (0.53) PSMB8PSMB5CA12CA1CA2
SCHEMBL29425017 0.84 PSMB8 (0.53) PSMB8PSMB5CA12CA1CA2
SCHEMBL11196812 0.81 TXN (0.47) PSMB8PSMB5CA12CA1CA2
SCHEMBL11183918 0.80 CYP1A2 (0.46) PSMB8PSMB5CA12CA1CA2
SCHEMBL11196189 0.79 CYP1A2 (0.47) PSMB8PSMB5CA12CA1CA2
SCHEMBL11186831 0.78 TXN (0.47) PSMB8PSMB5CA12CA1CA2
SCHEMBL11194115 0.77 PSMB8 (0.50) PSMB8PSMB5CA12CA1CA2
SCHEMBL11189391 0.77 CYP1A2 (0.46) PSMB8PSMB5CA12CA1CA2
SCHEMBL11188121 0.76 CYP1A2 (0.47) PSMB8PSMB5CA12CA1CA2

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
EP-0080861-A1 Deodorized rubber additives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-06-08 — — EP disclosed
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