SCHEMBL8097250

SCHEMBL8097250

O=C1CSCN1c1cc(Cl)ccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 1.00
KMT2A Q03164 4/20 0.42
ADRA1B P35368 2/20 0.40
HTR1A P08908 1/20 0.39
PMM2 O15305 1/20 0.38
MPI P34949 1/20 0.38
PHOSPHO1 Q8TCT1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MCOLN3 Q8TDD5 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRM1 P35372 1/20 0.36
NOTUM Q6P988 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL8106122 0.79 MAPT (0.66) MAPTKMT2AALDH1A1MEN1
SCHEMBL29749809 0.79 MAPT (0.66) MAPTKMT2AALDH1A1MEN1
SCHEMBL8089825 0.79 MAPT (0.65) MAPTKMT2AALDH1A1MEN1ALOX12
SCHEMBL8089677 0.78 MAPT (0.64) MAPTKMT2AALDH1A1MEN1ALOX12
SCHEMBL8096492 0.78 MAPT (0.64) MAPTKMT2AHTR1AALDH1A1MEN1
SCHEMBL8103262 0.77 MAPT (0.62) MAPTKMT2AALDH1A1MEN1
SCHEMBL8099397 0.74 MAPT (0.59) MAPTKMT2AADRA1BHTR1APMM2
SCHEMBL8098719 0.74 MAPT (0.59) MAPTKMT2APHOSPHO1ALDH1A1MEN1
SCHEMBL8082058 0.74 MAPT (0.59) MAPTKMT2AMEN1NOTUM
SCHEMBL8090617 0.74 MAPT (0.58) MAPTKMT2AALDH1A1MEN1NOTUM

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