SCHEMBL8099417

SCHEMBL8099417

O=C1C(O)SCN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.36
CES2 O00748 1/20 0.34
FFAR4 Q5NUL3 2/20 0.33
AADAT Q8N5Z0 1/20 0.31
TACR1 P25103 1/20 0.31
AR P10275 1/20 0.31
CFTR P13569 1/20 0.30
XPO1 O14980 1/20 0.30
CXCR3 P49682 1/20 0.30
NOTUM Q6P988 1/20 0.30
JUN P05412 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8099176 0.87 DPP4 (0.38)
SCHEMBL8105384 0.86 PLK1 (0.35) MEN1KMT2A
SCHEMBL5827269 0.85 MEN1 (0.43) AADATNOTUMMEN1KMT2A
SCHEMBL8089734 0.84 HDAC1 (0.41) AADATNOTUM
SCHEMBL8789540 0.84 OPRM1 (0.38)
SCHEMBL8787648 0.82 CYP17A1 (0.39) MEN1KMT2A
SCHEMBL8098966 0.81 ADRB1 (0.36) ADRB1CES2FFAR4XPO1CXCR3
SCHEMBL8105676 0.80 ADRB1 (0.33) ADRB1CES2FFAR4TACR1AR
SCHEMBL8789305 0.79 ALDH1A1 (0.34) CES2
SCHEMBL8090023 0.77 ALDH1A1 (0.33) ADRB1NOTUMMEN1KMT2A

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