SCHEMBL9662940

SCHEMBL9662940

CCOC(=O)CN1C=CC(=S)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 2/20 0.47
▸ GSK3B P49841 2/20 0.47
▸ PIN1 Q13526 1/20 0.40
▸ PIN4 Q9Y237 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL14324664 0.67 GSK3A (0.50) GSK3AGSK3BPIN1PIN4MEN1
SCHEMBL9664387 0.66 — —
SCHEMBL13143118 0.66 GSK3A (0.58) GSK3AGSK3BPIN1PIN4MEN1
SCHEMBL30335997 0.66 GSK3A (0.39) GSK3AGSK3BPIN1PIN4MEN1
SCHEMBL18825277 0.65 GSK3A (0.61) GSK3AGSK3BPIN1PIN4MEN1
SCHEMBL3384734 0.65 GSK3A (1.00) GSK3AGSK3BPIN1PIN4MEN1
SCHEMBL20512974 0.64 GSK3A (0.43) GSK3AGSK3BPIN1PIN4KMT2A
SCHEMBL9300692 0.64 GSK3A (0.46) GSK3AGSK3BPIN1PIN4MEN1
SCHEMBL8206171 0.64 GSK3A (0.61) GSK3AGSK3BPIN1PIN4MEN1
SCHEMBL3221674 0.63 GSK3A (0.58) GSK3AGSK3BPIN1PIN4MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0209751-B1 CEPHALOSPORIN DERIVATIVES AND BACTERICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1992-09-16 — — EP disclosed
US-4786633-A HIGHER ACTIVITY TANABE SEIYAKU CO., LTD. (JP) 1988-11-22 — — US disclosed
US-4758557-A Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA, LTD. (JP) 1988-07-19 — — US disclosed
EP-0248645-A2 Cephalosporin compounds Tanabe Seiyaku Co., Ltd. (JP) 1987-12-09 — — EP disclosed
EP-0209751-A2 Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1987-01-28 — — EP disclosed
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