SCHEMBL8102959

SCHEMBL8102959

Cc1cccc(N2CSC(OC(=O)NC(C)(C)C)C2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PARP1 P09874 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C19 P33261 1/20 0.34
PKM P14618 1/20 0.34
NOTUM Q6P988 1/20 0.34
HSD11B1 P28845 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 0.89 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10
SCHEMBL8098460 0.89 NTMT1 (0.35) MAPTALDH1A1KDM4E
SCHEMBL8096915 0.88 ALDH1A1 (0.38) ALDH1A1LMNAL3MBTL1HSD11B1
SCHEMBL8099147 0.88 POLB (0.41) MAPTALDH1A1LMNAL3MBTL1
SCHEMBL8097382 0.88 FAAH (0.32) ALDH1A1HSD17B10
SCHEMBL8105978 0.88 TP53 (0.42) MAPTALDH1A1LMNA
SCHEMBL8097540 0.87 POLB (0.36) SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL8097004 0.87 LMNA (0.44) SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL8097595 0.86 KMT2A (0.37) SMN1; SMN2ALDH1A1HSD17B10L3MBTL1
SCHEMBL8105439 0.86 GAA (0.47) SMN1; SMN2MAPTALDH1A1HPGDLMNA

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