SCHEMBL9822083

SCHEMBL9822083

COCc1nc2nc(C)c(C)c(S)n2n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PDE10A Q9Y233 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL9822120 0.82 PKM (0.38) PKMRECQLALDH1A1PDE10AHTT
SCHEMBL9821980 0.79 RECQL (0.36) PKMRECQLALDH1A1PDE10AHTT
SCHEMBL9822140 0.77 RECQL (0.41) PKMRECQLALDH1A1PDE10AHTT
SCHEMBL9821928 0.74 RECQL (0.50) RECQLALDH1A1PDE10AHTTKDM4E
SCHEMBL9822255 0.71 LMNA (0.33) PKMRECQLALDH1A1HTT
SCHEMBL9822104 0.71 PKM (0.36) PKM
SCHEMBL9822056 0.68 PDE10A (0.36) PKMRECQLALDH1A1PDE10AHTT
SCHEMBL9822045 0.68 TDP1 (0.33) PKMRECQLALDH1A1HTT
SCHEMBL9822209 0.68 RECQL (0.50) RECQLALDH1A1PDE10AHTTKDM4E
SCHEMBL9822314 0.68 RECQL (0.50) PKMRECQLALDH1A1PDE10AHTT

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