SCHEMBL8105978

SCHEMBL8105978

COc1cccc(N2CSC(OC(=O)NC(C)(C)C)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.42
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 4/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8097583 0.89 NPC1 (0.37) TP53MAPTALDH1A1
SCHEMBL8103588 0.89 NOTUM (0.40)
SCHEMBL8098702 0.88 ALDH1A1 (0.38) ALDH1A1MAPK1
SCHEMBL8102959 0.88 SMN1; SMN2 (0.38) LMNAMAPTALDH1A1
SCHEMBL8098460 0.88 NTMT1 (0.35) TP53MAPTALDH1A1
SCHEMBL8097453 0.88 LMNA (0.41) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL8105439 0.87 GAA (0.47) TP53LMNAMAPTALDH1A1MAPK1
SCHEMBL8099147 0.87 POLB (0.41) TP53LMNAMAPTPOLBALDH1A1
SCHEMBL8097382 0.87 FAAH (0.32) TP53ALDH1A1
SCHEMBL8096915 0.87 ALDH1A1 (0.38) LMNAALDH1A1

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