SCHEMBL10967386

SCHEMBL10967386

O=S(=O)(NC(=S)S)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
KDM4E B2RXH2 2/20 0.56
MMP2 P08253 2/20 0.54
CA1 P00915 1/20 0.54
MMP1 P03956 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.50
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
HPGD P15428 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
IL1RN P18510 1/20 0.47
KEAP1 Q14145 1/20 0.47
ERAP1 Q9NZ08 1/20 0.47

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
SCHEMBL10817097 0.83 CA2 (0.63) CA2KDM4EMMP2CA1MMP1
SCHEMBL10817093 0.81 CA2 (0.56) CA2KDM4EMMP2CA1MMP1
SCHEMBL9176294 0.80 ALDH1A1 (0.60) CA2MMP2CA1MMP1MMP9
SCHEMBL11811223 0.80 BCAT1 (0.59) CA2MMP2CA1MMP1MMP9
SCHEMBL728028 0.79 CA2 (0.59) CA2KDM4EMMP2CA1MMP1
SCHEMBL6223776 0.79 CA2 (0.65) CA2KDM4EMMP2CA1MMP1
SCHEMBL9506422 0.79 CA2 (0.54) CA2KDM4EMMP2CA1MMP1
SCHEMBL11333341 0.78 CA2 (0.58) CA2KDM4EMMP2CA1MMP1
SCHEMBL7855522 0.76 KDM4E (0.67) CA2KDM4EMMP2CA1MMP1
SCHEMBL6012074 0.76 CA2 (0.60) CA2KDM4EMMP2CA1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151554-A1 Derivatives of phenylsulfonamides CIBA-GEIGY AG (CH) 1985-08-14 EP disclosed
US-4288454-A Antiviral 1-adamantyl-3-(phenylsulfonyl)thioureas HOFFMAN-LA ROCHE INC. (US) 1981-09-08 US disclosed