SCHEMBL8096915

SCHEMBL8096915

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34

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) ALDH1A1MEN1KMT2A
SCHEMBL8102959 0.88 SMN1; SMN2 (0.38) ALDH1A1L3MBTL1LMNAHSD11B1
SCHEMBL8098702 0.88 ALDH1A1 (0.38) ALDH1A1RAB9AMEN1KMT2A
SCHEMBL8099147 0.87 POLB (0.41) ALDH1A1L3MBTL1NPC1LMNAHTT
SCHEMBL8097382 0.87 FAAH (0.32) ALDH1A1HTTMEN1KMT2AMGLL
SCHEMBL8105978 0.87 TP53 (0.42) ALDH1A1LMNA
SCHEMBL8097540 0.86 POLB (0.36) ALDH1A1NPC1ALOX5
SCHEMBL8097004 0.86 LMNA (0.44) ALDH1A1ATMNPC1LMNARAB9A
SCHEMBL8097583 0.85 NPC1 (0.37) ALDH1A1NPC1ALOX5MGLL
SCHEMBL8105439 0.85 GAA (0.47) ALDH1A1ATML3MBTL1LMNARAB9A

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