SCHEMBL9814249

SCHEMBL9814249

Nc1csc(/C(=N/O)C(=O)O)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CSNK2A1 P68400 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
HSD17B10 Q99714 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
GAA P10253 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPGD P15428 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL9814252 1.00 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ACSNK2A1PLK3
SCHEMBL10465081 0.84 MEN1 (0.39) ALDH1A1MEN1KMT2ACSNK2A1PLK3
SCHEMBL8973779 0.77 CSNK2A1 (0.39) ALDH1A1CSNK2A1PLK3HSD17B10GABRA5
SCHEMBL1047944 0.77
Lithium SCHEMBL31223951 0.75 CSNK2A1 (0.40) ALDH1A1CSNK2A1PLK3HSD17B10GABRA5
SCHEMBL11404925 0.72
SCHEMBL19329267 0.72
SCHEMBL10505192 0.71 CSNK2A1 (0.35) ALDH1A1MEN1KMT2ACSNK2A1PLK3
SCHEMBL1405817 0.71 MAPT (0.45) ALDH1A1MEN1KMT2AHSD17B10GABRA5
SCHEMBL9615934 0.71 MAPT (0.45) ALDH1A1MEN1KMT2AHSD17B10GABRA5

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-0347777-A3 PROCESS FOR PREPARING CEPHALOSPORINS AND INTERMEDIATES THEREFOR BIOCHEMIE S.A. (ES) 1991-08-28 EP disclosed
US-5037988-A Process for preparing cephalosporins and intermediates therefor GEMA S.A. (ES) 1991-08-06 US disclosed
EP-0347777-A2 Process for preparing cephalosporins and intermediates therefor BIOCHEMIE S.A. (ES) 1989-12-27 EP disclosed