SCHEMBL9491328

SCHEMBL9491328

CCC1CN(c2cccc(C#N)c2)C(=N)S1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.45
NSD2 O96028 1/20 0.44
DRD2 P14416 7/20 0.43
DRD3 P35462 7/20 0.41
FADS1 O60427 2/20 0.40
NOTUM Q6P988 2/20 0.38
KCNH2 Q12809 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
CASP1 P29466 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8196697 0.87 NSD2 (0.41) GRM2NSD2DRD2DRD3FADS1
SCHEMBL9494260 0.80 GRM2 (0.43) GRM2DRD2DRD3FADS1KCNH2
SCHEMBL10434289 0.78 GRM2 (0.42) GRM2NSD2DRD2DRD3FADS1
SCHEMBL8010813 0.77 ALDH1A1 (0.40) DRD2DRD3NOTUM
SCHEMBL10582421 0.76 GRM2 (0.41) GRM2NSD2DRD2DRD3FADS1
SCHEMBL10582679 0.76 GRM2 (0.40) GRM2NSD2DRD2DRD3FADS1
SCHEMBL10567430 0.72 ELANE (0.40)
SCHEMBL8240919 0.69 DRD2 (0.46) GRM2NSD2DRD2DRD3FADS1
SCHEMBL10582170 0.69 FNTA (0.40) GRM2TSHR
SCHEMBL9226976 0.68 GRM2 (0.35) GRM2NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266701-A Process for production of 2-iminothiazolidines and oxazolidines ICI AMERICAS INC. (US) 1993-11-30 US disclosed
EP-0349283-A1 Novel herbicidal 2-sulfonyliminothiazolidines ZENECA INC. (US) 1990-01-03 EP disclosed
US-4867782-A BROADLEAF AND GRASSY WEEDS ICI AMERICAS INC. (US) 1989-09-19 US disclosed