SCHEMBL7518953

SCHEMBL7518953

O=[N+]([O-])C=C1SCCCS1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7514475 0.90
SCHEMBL2120877 0.70
SCHEMBL2122718 0.70
SCHEMBL118916 0.70
SCHEMBL8320622 0.70
SCHEMBL7556654 0.69
SCHEMBL10364428 0.69
SCHEMBL10362327 0.69 INMT (0.42) ALDH1A1MEN1GAAMAPTKMT2A
SCHEMBL10364430 0.69
SCHEMBL7556646 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765870-B1 Broad-spectrum antimicrobially active compounds ROHM & HAAS (US) 2002-02-13 EP disclosed
US-5883134-A APPLYING 1-(ALKYLSULFINYL- OR ALKYLSULFONYL)-2-NITROETHENE DERIVATIVE AS BACTERICIDE, FUNGICIDE, AND/OR ALGICIDE ROHM AND HAAS COMPANY (US) 1999-03-16 US disclosed
CN-1160481-A Broad-spectrum antimicrobially active compounds ROHM & HAAS (US) 1997-10-01 CN disclosed
EP-0765870-A2 Broad-spectrum antimicrobially active compounds ROHM AND HAAS COMPANY (US) 1997-04-02 EP disclosed