SCHEMBL6134852

SCHEMBL6134852

C=Cc1[nH]c(CC)nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
ADORA1 P30542 4/20 0.36
ADORA3 P0DMS8 3/20 0.36
ADORA2A P29274 2/20 0.36
DDAH1 O94760 1/20 0.32
TP53 P04637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL3027900 0.80 GAA (0.38) GAAHTTADORA1ADORA3ADORA2A
SCHEMBL3401142 0.78 TP53 (0.41) GAAHTTADORA1ADORA3ADORA2A
SCHEMBL6134710 0.72
SCHEMBL10859287 0.72
SCHEMBL6134846 0.68 GAA (0.38) GAAHTTADORA1ADORA3ADORA2A
SCHEMBL895 0.65 GLA (0.37) HTT
SCHEMBL9418179 0.65 NPSR1 (0.30)
SCHEMBL3405385 0.65 ALK (0.42) GAAHTTADORA1ADORA3ADORA2A
SCHEMBL3027998 0.65 GAA (0.39) GAAHTTADORA1ADORA3ADORA2A
SCHEMBL27349364 0.65 ADORA3 (0.42) GAAHTTADORA1ADORA3ADORA2A

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
WO-2005082414-A2 CONCOMITANT DRUGS OF A SULFONAMIDE AND ANOTHER THERAPEUTIC AGENT ASTELLAS PHARMA INC. (JP) 2005-09-09 WO disclosed
US-20050197376-A1 Concomitant drugs FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-09-08 US disclosed