SCHEMBL8099223

SCHEMBL8099223

CN1CSCC(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HIF1A Q16665 1/20 0.33
XPO1 O14980 1/20 0.33
HTR7 P34969 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GSR P00390 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL8090313 0.78 MAPT (0.44) ADRB1HIF1AXPO1MEN1KMT2A
SCHEMBL14680395 0.74 MEN1 (0.48) ADRB1XPO1MEN1KMT2AAR
SCHEMBL8105676 0.72 ADRB1 (0.33) ADRB1HIF1AXPO1HTR7AR
SCHEMBL8098867 0.69 MAPT (0.40)
SCHEMBL8090530 0.68 ADRB1 (0.39) ADRB1XPO1MEN1KMT2A
SCHEMBL18598250 0.68 MEN1 (0.42) ADRB1XPO1MEN1KMT2A
SCHEMBL8105974 0.67 MEN1 (0.49) MEN1KMT2A
SCHEMBL8787841 0.66 CYP11B2 (0.40)
SCHEMBL8099139 0.65 MAPT (0.36) HIF1AMEN1KMT2A
SCHEMBL8098928 0.65 MAPT (0.44) GSK3AGSK3BMEN1KMT2A

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
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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed