SCHEMBL11174841

SCHEMBL11174841

O=S(=O)(N[C]=S)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
F2 P00734 3/20 0.51
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
HCRTR1 O43613 1/20 0.50
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.48
PGR P06401 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
SCHEMBL208172 0.84 CA1 (0.53) CA1CA2CA9F2PRSS1
SCHEMBL28619473 0.79 F2 (0.60) CA1CA2CA9F2PRSS1
SCHEMBL6580093 0.79 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL8224014 0.76 F2 (0.60) CA1CA2CA9F2PRSS1
SCHEMBL30442076 0.76 CA2 (0.62) CA1CA2CA9F2PRSS1
SCHEMBL419323 0.76 CA2 (0.62) CA1CA2CA9F2PRSS1
SCHEMBL2371351 0.76 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL3698223 0.76 HCRTR1 (0.58) CA1CA2CA9F2PRSS1
SCHEMBL10994471 0.76 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL10652362 0.75 F2 (0.56) CA1CA2CA9F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US claimed
US-4219554-A Novel penicillins and cephalosporins and process for producing same TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-08-26 US claimed
US-4410522-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1983-10-18 US disclosed
US-4379152-A Cephalosporins TOYAMA CHEMICAL CO., LTD. (JP) 1983-04-05 US disclosed
US-4327097-A BACTERICIDES FOR MAMMALS TOYAMA CHEMICAL CO., LTD. (JP) 1982-04-27 US disclosed
US-4219554-A Novel penicillins and cephalosporins and process for producing same TOYAMA CHEMICAL COMPANY, LIMITED (JP) 1980-08-26 US disclosed
US-4112090-A BACTERICIDE TOYAMA CHEMICAL CO., LTD. (JP) 1978-09-05 US disclosed
US-4110327-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1978-08-29 US disclosed
US-4087424-A Novel penicillins and cephalosporins and process for producing the same TOYAMA CHEMICAL CO., LTD. (JA) 1978-05-02 US disclosed