SCHEMBL8097004

SCHEMBL8097004

CC(=O)c1cccc(N2CSC(OC(=O)NC(C)(C)C)C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.39
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
S100B P04271 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8105439 0.91 GAA (0.47) LMNATSHRGAAATMALDH1A1
SCHEMBL8099200 0.88 GAA (0.47) GAASMYD3POLBALDH1A1KMT2A
SCHEMBL8098702 0.87 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL8098460 0.87 NTMT1 (0.35) ALDH1A1KMT2AMEN1MAPT
SCHEMBL8102959 0.87 SMN1; SMN2 (0.38) LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL8099147 0.86 POLB (0.41) LMNAPOLBALDH1A1KMT2AMEN1
SCHEMBL8097382 0.86 FAAH (0.32) ALDH1A1KMT2AMEN1
SCHEMBL8096915 0.86 ALDH1A1 (0.38) LMNAALOX5ATMALDH1A1KMT2A
SCHEMBL8105978 0.86 TP53 (0.42) LMNAPOLBTDP1ALDH1A1MAPT
SCHEMBL8099477 0.85 SMN1; SMN2 (0.40) LMNATSHRALOX5GAAATM

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