SCHEMBL8098930

SCHEMBL8098930

O=C1CSC(c2cccc(C(F)(F)F)c2)N1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.49
HTR2C P28335 4/20 0.47
PBRM1 Q86U86 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
GUSB P08236 1/20 0.43
HTR1A P08908 1/20 0.42
CACNA1B Q00975 1/20 0.41
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HTR7 P34969 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KIF11 P52732 1/20 0.40

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
SCHEMBL27284113 0.81 GFER (0.50) GFERHTR2CSMN1; SMN2GAAL3MBTL1
SCHEMBL8099174 0.80 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1HTR7
SCHEMBL8099305 0.79 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1KIF11
SCHEMBL9388818 0.78 GFER (0.42) GFERSMN1; SMN2GAAGUSBL3MBTL1
SCHEMBL8098637 0.78 GFER (0.45) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8089828 0.77 SMN1; SMN2 (0.54) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8089821 0.77 GFER (0.56) GFERHTR2CPBRM1SMN1; SMN2GAA
SCHEMBL8096935 0.77 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1KDM4E
SCHEMBL8089772 0.77 GFER (0.52) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8103620 0.77 GFER (0.49) GFERSMN1; SMN2GAAL3MBTL1ALDH1A1

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 6 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-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO 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