SCHEMBL4264969

SCHEMBL4264969

O=C(O)OC1=CS[C@@H]2/C(=C\c3cn4c(nc5ccccc54)s3)C(=O)N12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 2/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTP4A3 O75365 1/20 0.31
PTP4A1 Q93096 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL3582086 0.85 MEN1 (0.34) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL3593308 0.85 MEN1 (0.34) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL3593311 0.85 MEN1 (0.34) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL4256026 0.76 MAP3K5 (0.32)
SCHEMBL4262075 0.73 PARP15 (0.36) MAPT
SCHEMBL4263337 0.73 MAPT (0.36) MAPT
SCHEMBL9666515 0.73
SCHEMBL13424094 0.73 MEN1 (0.36) MAPTALDH1A1HPGDALOX15MAPK1
SCHEMBL4259772 0.72 BRPF1 (0.36)
SCHEMBL4259319 0.70 NPC1 (0.35) MAPTALDH1A1SMN1; SMN2KMT2AGAA

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-1499622-B1 HETEROTRICYCLYL 6-ALKYLIDENE-PENEMS AS BETA-LACTAMASE INHIBITORS WYETH CORP (US) 2009-03-11 EP claimed