SCHEMBL9369558

SCHEMBL9369558

COc1ccc(CSC2CCNC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.48
DDB1 Q16531 2/20 0.43
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
DAO P14920 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IDO1 P14902 2/20 0.39
LMNA P02545 1/20 0.39
MMP13 P45452 1/20 0.39
CYP19A1 P11511 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
SCHEMBL8808078 0.76 CRBN (0.44) CRBNDDB1MMP1MMP9MAOA
SCHEMBL8808076 0.75 CRBN (0.43) CRBNDDB1MMP1MMP9MAOA
SCHEMBL6980287 0.75 EPHX2 (0.43) CRBNHSD17B10PSEN1PSEN2APH1B
SCHEMBL28206454 0.75 HTT (0.48) CRBNCYP19A1
SCHEMBL8932546 0.74 CRBN (0.44) CRBNHSD17B10MAOAMAOBDAO
SCHEMBL8307284 0.73 TDP1 (0.50) CRBNMAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL9197046 0.72 MMP1 (0.43) CRBNMMP1MMP9HSD17B10DAO
SCHEMBL8441916 0.72 CRBN (0.48) CRBNMMP1MMP9MAOAMAOB
SCHEMBL9202656 0.71 TSHR (0.46) CRBNMAOAMAOBDAOALDH1A1
SCHEMBL9480021 0.71 REN (0.44) CRBNMAOAMAOBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0337637-B1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics SANKYO CO (JP) 1994-11-30 EP disclosed
EP-0597821-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1994-05-18 EP disclosed
US-5242914-A 2-(heterocyclylthio) carbapenem derivatives, their preparation and their use as antibiotics SANKYO COMPANY, LIMITED (JP) 1993-09-07 US disclosed
US-5104867-A 2-(HETEROCYCLYLTHIO)CARBAPENEM DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0337637-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1989-10-18 EP disclosed