SCHEMBL8103211

SCHEMBL8103211

O=C1C(O)SCN1c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.44
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
POLB P06746 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
GFER P55789 1/20 0.41
ALDH1A1 P00352 2/20 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
MPI P34949 1/20 0.38
METAP1 P53582 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
SCHEMBL8090389 0.83 ALDH1A1 (0.43) FADS1MGLLMEN1KMT2ALMNA
SCHEMBL8096938 0.82 FADS1 (0.44) FADS1FAAHMGLLPOLBMEN1
SCHEMBL8099488 0.82 MAOA (0.47) MGLLKMT2AL3MBTL1ALDH1A1GAA
SCHEMBL8097531 0.82 FAAH (0.42) FAAHMGLLMEN1KMT2AL3MBTL1
SCHEMBL8096854 0.82 ATM (0.48) MGLLMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5827269 0.81 MEN1 (0.43) POLBMEN1KMT2AALDH1A1DRD2
SCHEMBL8097433 0.80 MEN1 (0.44) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL8089994 0.79 MGLL (0.45) FADS1MGLLPOLBKMT2ALMNA
SCHEMBL8103660 0.79 NOTUM (0.45) DRD2DRD3
SCHEMBL8103666 0.78 ALOX5 (0.42) POLBMEN1KMT2ALMNAALDH1A1

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