SCHEMBL6206505

SCHEMBL6206505

CNCc1ccc(C2=NCCN2)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 14/20 0.57
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
HTR1D P28221 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL6253725 0.83 NISCH (0.61) NISCHMAOBHTR1DADRA1A
SCHEMBL2242209 0.76 NISCH (0.68) NISCHLMNARECQLMAOBMAOA
SCHEMBL5125909 0.76 NISCH (0.51) NISCHLMNARECQL
SCHEMBL5125919 0.76 NISCH (0.51) NISCHLMNARECQL
Hydrochloric Acid SCHEMBL2238276 0.75 NISCH (0.66) NISCHLMNARECQLMAOBMAOA
Hydrochloric Acid SCHEMBL15514136 0.75 NISCH (0.66) NISCHLMNARECQLMAOBMAOA
Hydrochloric Acid SCHEMBL2240002 0.75 NISCH (0.66) NISCHLMNARECQLMAOBMAOA
SCHEMBL4028424 0.71 PTGS2 (0.38)
SCHEMBL21672911 0.70 NISCH (0.57) NISCHHTR1DADRA1A
SCHEMBL5476725 0.69 NISCH (0.79) NISCHLMNARECQLHTR1DADRA1A

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-1521744-A1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS LABORATOIRES FOURNIER S.A. (FR) 2005-04-13 EP disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 WO disclosed