SCHEMBL9822175

SCHEMBL9822175

OCc1nc2nc3c(c(S)n2n1)CCCC3

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
POLB P06746 2/20 0.32
CHRNE Q04844 1/20 0.32
ACHE P22303 3/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
BPTF Q12830 1/20 0.31
CYP1A2 P05177 1/20 0.31
RECQL P46063 1/20 0.31
KDM1A O60341 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
SCHEMBL9821971 0.97 KDM1A (0.33) PKMACHELMNAMEN1MAPK1
SCHEMBL9822221 0.88 PKM (0.34) PKMPOLBACHELMNAMEN1
SCHEMBL9822165 0.85 KDM4E (0.32) PKMPOLBLMNAALDH1A1MEN1
SCHEMBL9822171 0.83 PKM (0.35) PKMPOLBCHRNEACHELMNA
SCHEMBL9822104 0.81 PKM (0.36) PKMPOLBLMNA
SCHEMBL3582081 0.80 PKM (0.48) PKMPOLBLMNAALDH1A1MEN1
SCHEMBL9822417 0.80 LMNA (0.35) PKMPOLBACHELMNAALDH1A1
SCHEMBL9822255 0.78 LMNA (0.33) PKMLMNAALDH1A1MEN1KMT2A
SCHEMBL10408138 0.77 PKM (0.46) PKMPOLBACHELMNAALDH1A1
SCHEMBL10407382 0.74 POLB (0.40) PKMPOLBACHEALDH1A1MEN1

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