SCHEMBL8763542

SCHEMBL8763542

Nc1snnc1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
GABRA5 P31644 3/20 0.36
GABRB2 P47870 3/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
GABRR1 P24046 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6246455 0.67
SCHEMBL29733309 0.63 CYP1A2 (0.46) CYP1A2GABRA5GABRB2HSD17B10GABRA1
SCHEMBL11411846 0.62
SCHEMBL16458540 0.62 CYP1A2 (0.37) CYP1A2GABRA5GABRB2HSD17B10
SCHEMBL11035427 0.61
SCHEMBL11564617 0.60 CYP1A2 (0.46) CYP1A2GABRA5GABRB2HSD17B10KDM4E
SCHEMBL1417449 0.60 NOS1 (0.43) CYP1A2GABRA5GABRB2HSD17B10GABRR1
SCHEMBL29904961 0.60 CYP1A2 (0.39) CYP1A2GABRA5GABRB2HSD17B10GABRP
SCHEMBL1686855 0.60 F2 (0.70) HSD17B10F2
SCHEMBL4860930 0.60 GABRA5 (0.44) CYP1A2GABRA5GABRB2HSD17B10GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560365-B1 Cephalosporin derivative MEIJI SEIKA KAISHA (JP) 1997-09-24 EP disclosed
EP-0590681-B1 A process for the preparation of aminothiadiazolylacetyl halide derivatives EISAI KAGAKU KK (JP) 1997-07-09 EP disclosed
US-5607927-A ANTIBIOTIC BACTERICIDE MEIJI SEIKA KAISHA, LTD. (JP) 1997-03-04 US disclosed
US-5464829-A Cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1995-11-07 US disclosed
US-5428173-A Halogenating corresponding aminothiadiazolylacetic acid EISAI CHEMICAL CO., LTD. (JP) 1995-06-27 US disclosed
EP-0605836-A1 Cephalosporin derivatives MEIJI SEIKA KAISHA LTD. (JP) 1994-07-13 EP disclosed
EP-0590681-A2 A process for the preparation of aminothiadiazolylacetyl halide derivatives EISAI CHEMICAL CO., LTD. (JP) 1994-04-06 EP disclosed
EP-0560365-A1 Cephalosporin derivative MEIJI SEIKA KAISHA LTD. (JP) 1993-09-15 EP disclosed
US-4626535-A Cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1986-12-02 US disclosed