SCHEMBL8090045

SCHEMBL8090045

CC(C)(C)NC(=O)OC1SCN(c2cccc([N+](=O)[O-])c2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPK14 Q16539 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
HPN P05981 1/20 0.37
DDR2 Q16832 1/20 0.36
ALOX5 P09917 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL8102959 0.84 SMN1; SMN2 (0.38) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL8098460 0.84 NTMT1 (0.35) NTMT1MEN1KMT2AALDH1A1MAPT
SCHEMBL8105978 0.83 TP53 (0.42) ALDH1A1MAPTLMNA
SCHEMBL8096915 0.83 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL8097382 0.83 FAAH (0.32) MEN1KMT2AALDH1A1HTT
SCHEMBL8097540 0.83 POLB (0.36) ALDH1A1MAPTGAAALOX5NPC1
SCHEMBL8097640 0.82 MAPT (0.36) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8099200 0.81 GAA (0.47) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL8105237 0.81 NR1H2 (0.41)
SCHEMBL8098677 0.78 MAPT (0.38) ALDH1A1MAPTLMNANPC1RAB9A

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