SCHEMBL8196697

SCHEMBL8196697

N#Cc1cccc(N2CC(CCl)SC2=N)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
GRM2 Q14416 2/20 0.40
FADS1 O60427 2/20 0.40
DRD2 P14416 8/20 0.40
DRD3 P35462 6/20 0.40
NOTUM Q6P988 2/20 0.38
KCNH2 Q12809 3/20 0.38
DRD4 P21917 2/20 0.38
ALOX5 P09917 1/20 0.34
CTSG P08311 1/20 0.34
CMA1 P23946 1/20 0.34

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
SCHEMBL9491328 0.87 GRM2 (0.45) NSD2GRM2FADS1DRD2DRD3
SCHEMBL10434289 0.71 GRM2 (0.42) NSD2GRM2FADS1DRD2DRD3
SCHEMBL9494260 0.69 GRM2 (0.43) GRM2FADS1DRD2DRD3KCNH2
SCHEMBL10973921 0.69 NSD2 (0.47) NSD2GRM2FADS1DRD2DRD3
SCHEMBL10993294 0.68 NSD2 (0.52) NSD2GRM2FADS1DRD2DRD3
SCHEMBL10582421 0.67 GRM2 (0.41) NSD2GRM2FADS1DRD2DRD3
SCHEMBL10582679 0.66 GRM2 (0.40) NSD2GRM2FADS1DRD2DRD3
SCHEMBL16705239 0.66 NSD2 (0.64) NSD2GRM2FADS1DRD2DRD3
SCHEMBL16789934 0.66 DRD2 (0.59) NSD2GRM2FADS1DRD2DRD3
SCHEMBL8010813 0.64 ALDH1A1 (0.40) DRD2DRD3NOTUMALOX5

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
WO-2000042032-A1 SUBSTITUTED 2-IMINO THIAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed