SCHEMBL8099397

SCHEMBL8099397

O=C1C(Cl)SCN1c1cc(Cl)ccc1Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
NOTUM Q6P988 1/20 0.38
AADAT Q8N5Z0 2/20 0.36
ADRA1B P35368 2/20 0.36
PMM2 O15305 1/20 0.36
MPI P34949 1/20 0.36
PHOSPHO1 Q8TCT1 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MCOLN3 Q8TDD5 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
OPRM1 P35372 1/20 0.35
HTR1A P08908 1/20 0.35
HTT P42858 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL8089589 0.83 MAPT (0.54) MAPTNOTUMAADATADRA1BPMM2
SCHEMBL8097784 0.81 MGLL (0.41) MAPTNOTUMAADATALDH1A1HSD11B1
SCHEMBL8097654 0.77 ALOX15 (0.43) MAPTALDH1A1HTT
SCHEMBL10733179 0.76 SLC6A2 (0.46) MAPTKMT2AMEN1HTR1A
SCHEMBL8105245 0.76 ALDH1A1 (0.47) MAPTALDH1A1KMT2AMEN1
SCHEMBL8089631 0.75 P2RX7 (0.42) NOTUMAADATPHOSPHO1ALDH1A1HTR1A
SCHEMBL8097250 0.74 MAPT (1.00) MAPTNOTUMADRA1BPMM2MPI
SCHEMBL8090604 0.73 KAT2B (0.49) MAPTPHOSPHO1ALDH1A1KMT2AMEN1
SCHEMBL8098695 0.70 MAPT (0.41) MAPTNOTUMALDH1A1MCOLN3KMT2A
SCHEMBL8103236 0.70 NOTUM (0.43) NOTUM

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