SCHEMBL8090530

SCHEMBL8090530

O=C1CSCNN1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.31
CES2 O00748 1/20 0.31
HTT P42858 1/20 0.31
XPO1 O14980 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
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL14680395 0.75 MEN1 (0.48) ADRB1MEN1KMT2ACES2XPO1
SCHEMBL8090313 0.72 MAPT (0.44) ADRB1MEN1KMT2AALOX5CES2
SCHEMBL18598250 0.69 MEN1 (0.42) ADRB1MEN1KMT2ACES2XPO1
SCHEMBL10737705 0.68 MEN1 (0.42) ADRB1MEN1KMT2AALOX5CES2
SCHEMBL8099223 0.68 ADRB1 (0.35) ADRB1MEN1KMT2AXPO1
SCHEMBL22006511 0.65 ADRB1 (0.44) ADRB1MEN1KMT2AALOX5CES2
SCHEMBL8105974 0.61 MEN1 (0.49) MEN1KMT2AALOX5HTTNFKB1
SCHEMBL28817805 0.60 ADRB1 (0.56) ADRB1MEN1KMT2AALOX5
SCHEMBL40666 0.60 ADRB1 (0.51) ADRB1MEN1KMT2AALOX5CES2
SCHEMBL1410628 0.60 ADRB1 (0.51) ADRB1MEN1KMT2AALOX5CES2

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