SCHEMBL8096938

SCHEMBL8096938

O=C1C(Cl)SCN1c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GFER P55789 2/20 0.41
POLB P06746 4/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
GRM2 Q14416 1/20 0.39
ALOX5 P09917 2/20 0.39
LMNA P02545 1/20 0.39
MPI P34949 1/20 0.38

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
SCHEMBL8105245 0.84 ALDH1A1 (0.47) FADS1MGLLMEN1KMT2AGFER
SCHEMBL8089618 0.82 FAAH (0.42) FAAHMGLLMEN1KMT2AL3MBTL1
SCHEMBL8090453 0.82 ATM (0.48) MGLLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8097791 0.82 L3MBTL1 (0.45) MGLLKMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL8103211 0.82 FADS1 (0.44) FADS1FAAHMGLLMEN1KMT2A
SCHEMBL6509757 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL8103224 0.80 MEN1 (0.44) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL8097196 0.79 MGLL (0.45) FADS1MGLLKMT2AALDH1A1MAPT
SCHEMBL8089666 0.79 DRD2 (0.44) MGLLDRD2DRD3
SCHEMBL8097217 0.78 CTSG (0.41) FAAHMGLLMAPT

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