SCHEMBL8552652

SCHEMBL8552652

COC(=O)c1ccc(CSC2CC(=O)N2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
LMNA P02545 4/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
HSD17B10 Q99714 1/20 0.50
RAB9A P51151 5/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
GFER P55789 1/20 0.43

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
SCHEMBL24462030 0.74 HTT (0.69) HTTLMNAMAPTALDH1A1TSHR
SCHEMBL26227577 0.74 HTT (0.63) HTTLMNAMAPTALDH1A1TSHR
SCHEMBL8550528 0.72 MAPT (0.71) HTTLMNAMAPTALDH1A1TSHR
SCHEMBL24470372 0.72 HTT (0.65) HTTLMNAMAPTALDH1A1TSHR
SCHEMBL12018996 0.70 HTT (1.00) HTTLMNAMAPTALDH1A1TSHR
SCHEMBL26229112 0.70 MAPT (0.68) HTTLMNAMAPTALDH1A1TSHR
SCHEMBL2031143 0.69 HTT (0.76) HTTLMNAMAPTALDH1A1TSHR
SCHEMBL1530038 0.69 HTT (0.76) HTTLMNAMAPTALDH1A1TSHR
SCHEMBL11397879 0.69 MAPT (0.69) HTTLMNAMAPTALDH1A1TSHR
SCHEMBL27697609 0.68 HTT (0.69) HTTLMNAMAPTALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed