SCHEMBL8104985

SCHEMBL8104985

N#Cc1cccc(C2NC(=O)CS2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.49
DRD2 P14416 5/20 0.44
DRD3 P35462 5/20 0.44
ABCC9 O60706 3/20 0.44
ABCC8 Q09428 3/20 0.44
KCNJ11 Q14654 3/20 0.44
KCNJ8 Q15842 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALOX5 P09917 1/20 0.38
CYP19A1 P11511 1/20 0.38
CREBBP Q92793 1/20 0.38
NSD2 O96028 1/20 0.37
FADS1 O60427 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
SCHEMBL8089821 0.77 GFER (0.56) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL8089828 0.77 SMN1; SMN2 (0.54) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL8089772 0.77 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1DDB1
SCHEMBL8099174 0.77 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL8096935 0.77 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL5450446 0.76 SMN1; SMN2 (0.59) GFERSMN1; SMN2GAAL3MBTL1DDB1
SCHEMBL8098930 0.73 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL8103620 0.73 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1
SCHEMBL8103930 0.73 GFER (0.52) GFERDRD2DRD3SMN1; SMN2GAA
SCHEMBL8090311 0.73 GFER (0.63) GFERSMN1; SMN2GAAL3MBTL1DDB1

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