SCHEMBL8871016

SCHEMBL8871016

O=c1c(CNc2ccccc2)coc2ccc(S)cc12

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.58
MAOA P21397 1/20 0.57
CA12 O43570 6/20 0.53
CA9 Q16790 6/20 0.53
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
HSD17B3 P37058 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
ACHE P22303 1/20 0.37
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL30787524 0.84 MAOB (0.73) MAOBMAOACA12CA9CA1
SCHEMBL8869586 0.84 MAOB (0.58) MAOBMAOACA12CA9CA1
SCHEMBL30787466 0.84 MAOB (0.58) MAOBMAOACA12CA9CA1
SCHEMBL28902190 0.83 MAOB (0.79) MAOBMAOACA12CA9CA1
SCHEMBL30167103 0.83 MAOB (0.79) MAOBMAOACA12CA9CA1
SCHEMBL30787472 0.81 MAOB (0.60) MAOBMAOACA12CA9CA1
SCHEMBL30787475 0.80 MAOB (0.54) MAOBMAOACA12CA9CA1
SCHEMBL30787487 0.80 MAOB (0.62) MAOBMAOACA12CA9CA1
SCHEMBL30787497 0.77 MAOB (0.55) MAOBMAOACA12CA9CA1
SCHEMBL30167104 0.76 HSD17B3 (0.63) MAOBMAOACA12CA9CA1

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
US-5607928-A Carbapenem derivatives containing a bicyclic ketone substituent and their use as anti-infectives ZENECA LIMITED (GB) 1997-03-04 US disclosed
EP-0695753-A1 Carbapenem derivatives containing a bicyclic substituent, process for their preparation, and their use ZENECA LIMITED (GB) 1996-02-07 EP disclosed