SCHEMBL8938598

SCHEMBL8938598

O=C(c1nccs1)[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)CCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
PLA2G4A P47712 1/20 0.44
CES1 P23141 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PREP P48147 5/20 0.42
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
F2 P00734 1/20 0.39

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
SCHEMBL8938620 0.91 PLA2G4A (0.48) PKMPLA2G4ACES1MEN1NPC1
SCHEMBL8938439 0.89 MEN1 (0.50) PKMPLA2G4ACES1MEN1NPC1
SCHEMBL8938473 0.85 PREP (0.56) PKMPLA2G4ACES1MEN1NPC1
SCHEMBL8938526 0.83 PLA2G4A (0.41) PKMPLA2G4ACES1MEN1NPC1
SCHEMBL8938442 0.82 PKM (0.42) PKMPLA2G4ACES1MEN1NPC1
SCHEMBL8938468 0.82 PREP (0.43) PKMPLA2G4ACES1MEN1NPC1
SCHEMBL8938518 0.82 PKM (0.41) PKMPLA2G4ACES1MEN1NPC1
SCHEMBL10517561 0.76 PREP (0.68) NPC1PREP
SCHEMBL10517569 0.76 PREP (0.68) NPC1PREP
SCHEMBL7372462 0.76 MEN1 (0.50) MEN1NPC1RAB9AKMT2APREP

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-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US claimed
US-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US disclosed