SCHEMBL9822101

SCHEMBL9822101

COCc1nc2nc([S])cc(CO)n2n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PKM P14618 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
SCHEMBL9822310 0.85 PDE10A (0.38) PDE10AALDH1A1HTTRECQLKDM4E
SCHEMBL9822056 0.83 PDE10A (0.36) PDE10AALDH1A1HTTRECQLKDM4E
SCHEMBL9822408 0.79 PDE10A (0.35) PDE10AALDH1A1HTTRECQLKDM4E
SCHEMBL9822209 0.72 RECQL (0.50) PDE10AALDH1A1HTTRECQLKDM4E
SCHEMBL9822071 0.70 DHODH (0.36) ALDH1A1
SCHEMBL19194357 0.70 TDP1 (0.39) PDE10AALDH1A1HTTRECQLKDM4E
SCHEMBL9822230 0.69 HCAR2 (0.39) ALDH1A1HTTRECQLKDM4EPKM
SCHEMBL9822507 0.69 RECQL (0.50) PDE10AALDH1A1HTTRECQLKDM4E
SCHEMBL9822039 0.69 RECQL (0.33) ALDH1A1HTTRECQLPKM
SCHEMBL9822481 0.69 KDM4E (0.35) ALDH1A1HTTRECQLKDM4E

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