SCHEMBL8103621

SCHEMBL8103621

N#Cc1cccc(N2CSC(Cl)C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.50
FADS1 O60427 2/20 0.44
DRD2 P14416 6/20 0.42
DRD3 P35462 5/20 0.42
GRM2 Q14416 2/20 0.42
ALOX5 P09917 1/20 0.42
KCNH2 Q12809 3/20 0.41
NOTUM Q6P988 1/20 0.40
DRD4 P21917 2/20 0.40
METAP1 P53582 1/20 0.39
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38

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
SCHEMBL8099371 0.83 NSD2 (0.50) NSD2FADS1DRD2DRD3GRM2
SCHEMBL8105245 0.81 ALDH1A1 (0.47) FADS1DRD2DRD3ALOX5KCNH2
SCHEMBL8096938 0.78 FADS1 (0.44) FADS1DRD2DRD3GRM2ALOX5
SCHEMBL8089618 0.78 FAAH (0.42) DRD2DRD3KCNH2
SCHEMBL8097791 0.78 L3MBTL1 (0.45) DRD2DRD3GRM2ALOX5
SCHEMBL8090453 0.78 ATM (0.48) ALOX5
SCHEMBL8103224 0.77 MEN1 (0.44) GRM2
SCHEMBL8097196 0.76 MGLL (0.45) FADS1DRD2DRD3GRM2ALOX5
SCHEMBL8104981 0.75 NSD2 (0.54) NSD2FADS1DRD2DRD3GRM2
SCHEMBL16705239 0.75 NSD2 (0.64) NSD2FADS1DRD2DRD3GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed