SCHEMBL9822091

SCHEMBL9822091

Cc1cc(S)n2nc(CCO)nc2n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.58
ALDH1A1 P00352 1/20 0.55
HTT P42858 1/20 0.55
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.42
PDE10A Q9Y233 16/20 0.42

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
SCHEMBL9300412 0.87 RECQL (0.53) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9770451 0.83 RECQL (0.60) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9822087 0.81 RECQL (0.58) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9678528 0.79 KDM4E (0.53) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL9821985 0.79 RECQL (0.37) RECQLALDH1A1HTTPDE10A
SCHEMBL9821928 0.78 RECQL (0.50) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL10396607 0.78 RECQL (0.36) RECQLALDH1A1HTTKDM4EPDE10A
SCHEMBL9822033 0.78 RECQL (0.36) RECQLALDH1A1HTTKDM4ETSHR
SCHEMBL6261617 0.76 ALDH1A1 (0.45) RECQLALDH1A1HTTTSHR
SCHEMBL9679209 0.76 KDM4E (0.60) RECQLALDH1A1HTTKDM4E

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