SCHEMBL4438575

SCHEMBL4438575

O=Cc1nc2c(cc1Cl)NCCS2

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6640936 0.75
SCHEMBL4449091 0.70 CCR1 (0.37) MEN1ALDH1A1GAAKMT2A
SCHEMBL4441999 0.70 GRM5 (0.36) ALDH1A1GAA
SCHEMBL5253609 0.69 MEN1 (0.32) MEN1ALDH1A1GAAKMT2A
SCHEMBL620716 0.67 MEN1 (0.40) MEN1ALDH1A1GAAKMT2A
SCHEMBL2125246 0.66 MEN1 (0.34) MEN1ALDH1A1GAAKMT2A
SCHEMBL3352304 0.65 MEN1 (0.33) MEN1ALDH1A1GAAKMT2A
SCHEMBL3345273 0.63
SCHEMBL13089143 0.62 ALDH1A1 (0.34) MEN1ALDH1A1GAAKMT2A
SCHEMBL25497152 0.61 TDP1 (0.34) MEN1ALDH1A1KMT2A

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-3182973-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-06-28 EP disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO disclosed
EP-2137196-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
WO-2008128942-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed