SCHEMBL9822104

SCHEMBL9822104

COCc1nc2nc3c(c(S)n2n1)CCCC3

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
POLB P06746 2/20 0.32
HTR2C P28335 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 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
SCHEMBL9822255 0.97 LMNA (0.33) PKMLMNA
SCHEMBL9822097 0.84 PKM (0.35) PKMPOLBHTR2CLMNA
SCHEMBL9822181 0.82 LMNA (0.35) PKMPOLBLMNA
SCHEMBL9822175 0.81 PKM (0.36) PKMPOLBLMNA
SCHEMBL9822221 0.78 PKM (0.34) PKMPOLBLMNAGAA
SCHEMBL9821971 0.78 KDM1A (0.33) PKMLMNA
SCHEMBL10408138 0.77 PKM (0.46) PKMPOLBLMNAGAA
SCHEMBL9822165 0.75 KDM4E (0.32) PKMPOLBLMNA
SCHEMBL9822021 0.72 PKM (0.37) PKMPOLBLMNAGAA
SCHEMBL9822083 0.71 PKM (0.39) PKM

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