SCHEMBL8099147

SCHEMBL8099147

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.41
LMNA P02545 5/20 0.40
TP53 P04637 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NTMT1 Q9BV86 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FADS1 O60427 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPT P10636 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
SCHEMBL8098702 0.88 ALDH1A1 (0.38) RAB9AALDH1A1MEN1KMT2A
SCHEMBL8098460 0.88 NTMT1 (0.35) TP53NTMT1ALDH1A1MEN1KMT2A
SCHEMBL8102959 0.88 SMN1; SMN2 (0.38) LMNAL3MBTL1ALDH1A1MAPT
SCHEMBL2053916 0.87 MEN1 (0.38) POLBLMNATP53NPC1HTT
SCHEMBL8105978 0.87 TP53 (0.42) POLBLMNATP53ALDH1A1MAPT
SCHEMBL8096915 0.87 ALDH1A1 (0.38) LMNANPC1HTTRAB9AL3MBTL1
SCHEMBL8097382 0.87 FAAH (0.32) TP53HTTALDH1A1MEN1KMT2A
SCHEMBL8103588 0.86 NOTUM (0.40)
SCHEMBL8097540 0.86 POLB (0.36) POLBTP53NPC1ALDH1A1MAPT
SCHEMBL8097004 0.86 LMNA (0.44) POLBLMNANPC1RAB9AALDH1A1

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