SCHEMBL9565229

SCHEMBL9565229

C=CCN1C=CC(=S)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL9522908 0.76 ALDH1A1 (0.32) ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL9664387 0.73
SCHEMBL9332302 0.71 GSK3A (0.39) KMT2AL3MBTL1
SCHEMBL19086522 0.71
SCHEMBL10662380 0.70
SCHEMBL9665293 0.69 MMP1 (0.32)
SCHEMBL9664837 0.68
SCHEMBL9426406 0.68 ALDH1A1 (0.37) ALDH1A1KMT2ACYP3A4MAPTL3MBTL1
SCHEMBL12955753 0.67 BRD4 (0.60) ALDH1A1CYP3A4MAPT
SCHEMBL28480300 0.67 ALDH1A1 (0.41) ALDH1A1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544958-A1 Cephalosporin compounds and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1993-06-09 EP disclosed
US-4786633-A HIGHER ACTIVITY TANABE SEIYAKU CO., LTD. (JP) 1988-11-22 US disclosed
EP-0248645-A2 Cephalosporin compounds Tanabe Seiyaku Co., Ltd. (JP) 1987-12-09 EP disclosed