SCHEMBL7705140

SCHEMBL7705140

CN(C)S(=O)(=O)n1cnc(/C=C/C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL7705141 1.00 HTT (0.38) HTTKDM4EGAATSHR
SCHEMBL633115 0.83 HTT (0.42) HTTKDM4EGAATSHR
SCHEMBL7700122 0.79 HTT (0.36) HTTKDM4EGAA
SCHEMBL7700129 0.76 KDM4E (0.36) HTTKDM4EGAA
SCHEMBL7700127 0.76 KDM4E (0.36) HTTKDM4EGAA
SCHEMBL2591258 0.74 GAA (0.49) HTTKDM4EGAATSHR
SCHEMBL2383891 0.69 HTT (0.44) HTTKDM4EGAATSHR
SCHEMBL6755229 0.69 HTT (0.44) HTTKDM4EGAATSHR
SCHEMBL4045244 0.69 HTT (0.44) HTTKDM4EGAATSHR
SCHEMBL9734970 0.69 HTT (0.41) HTTKDM4EGAATSHR

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
US-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed
WO-1999005114-A2 1H-4(5)-SUBSTITUTED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-02-04 WO disclosed