SCHEMBL9822045

SCHEMBL9822045

COCc1nc2nc(CF)cc(S)n2n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 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
SCHEMBL9822039 0.83 RECQL (0.33) TDP1RECQLALDH1A1HTTPKM
SCHEMBL9821928 0.81 RECQL (0.50) RECQLALDH1A1HTT
SCHEMBL9822121 0.81 RECQL (0.33) RECQLALDH1A1HTT
SCHEMBL9822160 0.79 ALDH1A1 (0.34) RECQLALDH1A1HTT
SCHEMBL9821985 0.78 RECQL (0.37) RECQLALDH1A1HTT
SCHEMBL9822152 0.76 TDP1 (0.46) TDP1ALDH1A1PKM
SCHEMBL9822234 0.75 HCAR2 (0.39) TDP1RECQLALDH1A1HTTPKM
SCHEMBL9822276 0.74
SCHEMBL9822487 0.74 KDM4E (0.35) RECQLALDH1A1HTT
SCHEMBL9821991 0.73 TDP1 (0.38) TDP1ALDH1A1

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