SCHEMBL8097382

SCHEMBL8097382

CC(C)(C)NC(=O)OC1SCN(c2cccc(I)c2)C1=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
TP53BP1 Q12888 1/20 0.30
MPI P34949 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
SCHEMBL8098460 0.88 NTMT1 (0.35) ALDH1A1MEN1KMT2ATP53
SCHEMBL8102959 0.88 SMN1; SMN2 (0.38) ALDH1A1HSD17B10
SCHEMBL8098702 0.88 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL8099147 0.87 POLB (0.41) ALDH1A1MEN1HTTKMT2ATP53
SCHEMBL8105978 0.87 TP53 (0.42) ALDH1A1TP53
SCHEMBL8096915 0.87 ALDH1A1 (0.38) MGLLALDH1A1MEN1HTTKMT2A
SCHEMBL8097540 0.86 POLB (0.36) ALDH1A1TP53
SCHEMBL8097004 0.86 LMNA (0.44) ALDH1A1MEN1KMT2A
SCHEMBL8097583 0.85 NPC1 (0.37) MGLLALDH1A1TP53
SCHEMBL2053916 0.85 MEN1 (0.38) ALDH1A1MEN1HTTKMT2AHSD17B10

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