SCHEMBL9821985

SCHEMBL9821985

OCCc1nc2nc(CF)cc(S)n2n1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
PDE10A Q9Y233 2/20 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
SCHEMBL9822121 0.88 RECQL (0.33) RECQLALDH1A1HTT
SCHEMBL9821981 0.82 RECQL (0.37) RECQLALDH1A1HTTPDE10A
SCHEMBL9822091 0.79 RECQL (0.58) RECQLALDH1A1HTTPDE10A
SCHEMBL9822045 0.78 TDP1 (0.33) RECQLALDH1A1HTT
SCHEMBL9821989 0.76 RECQL (0.35) RECQLALDH1A1HTTPDE10A
SCHEMBL9822033 0.75 RECQL (0.36) RECQLALDH1A1HTTPDE10A
SCHEMBL10407104 0.73 MEN1 (0.47) ALDH1A1
SCHEMBL9822100 0.71 SORD (0.35) RECQLALDH1A1HTTPDE10A
SCHEMBL9822117 0.70 RECQL (0.33) RECQLALDH1A1HTT
SCHEMBL9822243 0.67 TP53 (0.33) RECQLALDH1A1HTT

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