SCHEMBL8089618

SCHEMBL8089618

O=C1C(Cl)SCN1c1cccc(I)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
MPI P34949 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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) MGLLDRD2DRD3KCNH2ALDH1A1
SCHEMBL8090453 0.82 ATM (0.48) MGLLALDH1A1HSD11B1MEN1KMT2A
SCHEMBL8097791 0.82 L3MBTL1 (0.45) MGLLDRD2DRD3ALDH1A1HSD11B1
SCHEMBL8096938 0.82 FADS1 (0.44) FAAHMGLLMPIDRD2DRD3
SCHEMBL8097531 0.82 FAAH (0.42) FAAHMGLLMPIDRD2DRD3
SCHEMBL8103224 0.80 MEN1 (0.44) ALDH1A1ALOX15TSHRMEN1KMT2A
SCHEMBL8097196 0.79 MGLL (0.45) MGLLMPIDRD2DRD3ALDH1A1
SCHEMBL6509757 0.78 MEN1 (0.43) MPIDRD2DRD3KCNH2ALDH1A1
SCHEMBL8103621 0.78 NSD2 (0.50) DRD2DRD3KCNH2
SCHEMBL8097217 0.78 CTSG (0.41) FAAHMGLL

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