SCHEMBL9821971

SCHEMBL9821971

OCc1nc2nc3c(c(S)n2n1)CCC3

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 2/20 0.31
KDM5B Q9UGL1 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 2/20 0.31
ACHE P22303 2/20 0.31
BPTF Q12830 1/20 0.31

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
SCHEMBL9822175 0.97 PKM (0.36) KDM1ALMNAPKMMEN1KMT2A
SCHEMBL9822165 0.88 KDM4E (0.32) KDM1ALMNAPKMKDM4EKDM5B
SCHEMBL9822221 0.85 PKM (0.34) LMNAPKMKDM4EMEN1KMT2A
SCHEMBL3582081 0.83 PKM (0.48) KDM1ALMNAPKMKDM4EMEN1
SCHEMBL9822417 0.83 LMNA (0.35) KDM1ALMNAPKMKDM4EKDM5B
SCHEMBL9822255 0.81 LMNA (0.33) KDM1ALMNAPKMNPSR1MEN1
SCHEMBL9822171 0.80 PKM (0.35) KDM1ALMNAPKMKDM4ENPSR1
SCHEMBL9822104 0.78 PKM (0.36) LMNAPKM
SCHEMBL10408138 0.73 PKM (0.46) LMNAPKMKDM4EMEN1KMT2A
SCHEMBL9822215 0.73 LMNA (0.37) KDM1ALMNAPKMKDM4EKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed