SCHEMBL8553198

SCHEMBL8553198

O=C1CC(SCc2ccco2)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.43
MAPT P10636 8/20 0.40
POLB P06746 7/20 0.40
KMT2A Q03164 5/20 0.40
TDP1 Q9NUW8 4/20 0.40
MEN1 O00255 4/20 0.40
RECQL P46063 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
APEX1 P27695 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
DNMT1 P26358 1/20 0.40
PTPN7 P35236 1/20 0.40
HBB P68871 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALDH1A1 P00352 10/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 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
SCHEMBL8373994 0.73 CRBN (0.51) MAPTPOLBL3MBTL1HSD17B10ALDH1A1
SCHEMBL9354111 0.72 ALKBH5 (0.44) ALKBH5MAPTPOLBKMT2ATDP1
SCHEMBL10951065 0.70 CES2 (0.43) MAPTPOLBKMT2ATDP1MEN1
SCHEMBL10951060 0.70 CES2 (0.43) MAPTPOLBKMT2ATDP1MEN1
SCHEMBL8441232 0.67 DAO (0.40) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL7175387 0.67 CYP1A2 (0.42) HSD17B10ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL891217 0.66 TSHR (0.46) MAPTPOLBKMT2ATDP1MEN1
SCHEMBL140950 0.66 TSHR (0.59) MAPTPOLBKMT2ATDP1MEN1
SCHEMBL10981644 0.66 TSHR (0.41) MAPTPOLBKMT2ATDP1MEN1
SCHEMBL4056038 0.65 GAA (0.54) MAPTPOLBKMT2ATDP1MEN1

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 1 patent. 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