SCHEMBL8103735

SCHEMBL8103735

CC(C)(C)NC(=O)OC1SCN(c2cccc(Cl)c2Cl)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.39
DRD3 P35462 10/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD4 P21917 7/20 0.36
NOTUM Q6P988 1/20 0.34
HTR1A P08908 3/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
DRD1 P21728 2/20 0.33
HTR2B P41595 2/20 0.33
ADRA2A P08913 2/20 0.33
HTR7 P34969 2/20 0.33
ADRA1A P35348 2/20 0.33
HRH1 P35367 2/20 0.33
CNR1 P21554 1/20 0.33
ABCB11 O95342 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL8098669 0.91 ALDH1A1 (0.36) DRD2DRD3MEN1MAPK1KMT2A
SCHEMBL8098695 0.83 MAPT (0.41) MEN1KMT2ANOTUMCNR1
SCHEMBL8098702 0.81 ALDH1A1 (0.38) MEN1MAPK1KMT2A
SCHEMBL8097519 0.81 ALDH1A1 (0.40) DRD2MEN1KMT2AHTR1AADRA1A
SCHEMBL8103924 0.81
SCHEMBL8099269 0.80 NOTUM (0.38) NOTUM
SCHEMBL8105911 0.80 KMT2A (0.35) MEN1KMT2A
SCHEMBL8097540 0.79 POLB (0.36)
SCHEMBL8103628 0.79 SLC6A4 (0.37) MEN1KMT2ASLC6A4SLC6A3
SCHEMBL8787681 0.79 MAPT (0.42) KMT2A

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