SCHEMBL8090368

SCHEMBL8090368

CC1(O)SC(c2cccc(C(F)(F)F)c2)NC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.45
PBRM1 Q86U86 1/20 0.41
HTR2C P28335 2/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
AR P10275 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD11B1 P28845 1/20 0.38
KDM1A O60341 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
HTR7 P34969 1/20 0.38
RECQL P46063 1/20 0.38
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 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
SCHEMBL8090625 0.76 NPSR1 (0.45) GUSBLMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL8089737 0.71 PBRM1 (0.43) GUSBPBRM1HTR2CLMNAMAPT
SCHEMBL8090521 0.71 ALDH1A1 (0.63) GUSBPBRM1HTR2CLMNAMAPT
SCHEMBL8098930 0.70 GFER (0.49) GUSBPBRM1HTR2CSMN1; SMN2ALDH1A1
SCHEMBL8788750 0.69 PBRM1 (0.43) GUSBPBRM1HTR2CLMNAMAPT
SCHEMBL8096948 0.69 PBRM1 (0.46) GUSBPBRM1HTR2CLMNAMAPT
SCHEMBL9801978 0.68 KDM1A (0.44) GUSBHTR2CLMNAKDM1ARCOR1
SCHEMBL19732941 0.64 GUSB (0.77) GUSBLMNAMAPTSMN1; SMN2HTT
SCHEMBL19732940 0.64 GUSB (0.77) GUSBLMNAMAPTSMN1; SMN2HTT
SCHEMBL10243490 0.64 CETP (0.46) GUSBPBRM1HTR2CLMNAMAPT

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