SCHEMBL16705239

SCHEMBL16705239

N#Cc1cccc(N2CC2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.64
DRD2 P14416 6/20 0.54
DRD3 P35462 5/20 0.54
CTSG P08311 1/20 0.54
CMA1 P23946 1/20 0.54
KCNH2 Q12809 3/20 0.53
ALOX5 P09917 1/20 0.53
FADS1 O60427 2/20 0.51
GRM2 Q14416 1/20 0.48
NOTUM Q6P988 2/20 0.47
DRD4 P21917 2/20 0.45

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
SCHEMBL3559706 0.83 NSD2 (0.58) NSD2DRD2DRD3CTSGCMA1
SCHEMBL3551042 0.83 ALOX5 (0.59) NSD2DRD2DRD3CTSGCMA1
SCHEMBL8104981 0.82 NSD2 (0.54) NSD2DRD2DRD3CTSGCMA1
SCHEMBL4411364 0.82 ALOX5 (0.55) NSD2DRD2DRD3CTSGCMA1
SCHEMBL3951237 0.81 NSD2 (0.56) NSD2DRD2DRD3KCNH2ALOX5
SCHEMBL16789934 0.81 DRD2 (0.59) NSD2DRD2DRD3KCNH2ALOX5
SCHEMBL4049099 0.80 PIK3CD (0.53) NSD2DRD2DRD3CTSGCMA1
Hydrochloric Acid SCHEMBL1584246 0.80 DRD2 (0.57) NSD2DRD2DRD3CTSGCMA1
SCHEMBL19693904 0.79 NSD2 (0.54) NSD2DRD2DRD3KCNH2ALOX5
SCHEMBL29519746 0.79 NSD2 (0.54) NSD2DRD2DRD3KCNH2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673087-B1 ALKOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2015-05-13 EP disclosed