SCHEMBL8526129

SCHEMBL8526129

CCP(=S)(CC)C(=NOCc1csc(N)n1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.43
GABRB2 P47870 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOS1 P29475 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL8768623 1.00 GABRA5 (0.43) GABRA5GABRB2HSD17B10MAPTNPC1
SCHEMBL8526643 0.88 GABRA5 (0.41) GABRA5GABRB2HSD17B10MAPTNPC1
SCHEMBL8768619 0.72 GABRA5 (0.38) GABRA5GABRB2HSD17B10MAPTNPC1
SCHEMBL9627288 0.71 GABRA5 (0.43) GABRA5GABRB2HSD17B10MAPTNPC1
SCHEMBL3999942 0.69 GABRA5 (0.51) GABRA5GABRB2HSD17B10MAPTNPC1
SCHEMBL2789164 0.69 GABRA5 (0.51) GABRA5GABRB2HSD17B10MAPTNPC1
Hydrochloric Acid SCHEMBL8913011 0.68 GABRA5 (0.50) GABRA5GABRB2HSD17B10MAPTNPC1
SCHEMBL24769860 0.68 GABRA5 (0.43) GABRA5GABRB2HSD17B10MAPTNPC1
SCHEMBL6791297 0.68 GABRA5 (0.47) GABRA5GABRB2HSD17B10MAPTNPC1
SCHEMBL24768947 0.67 MAPT (0.44) GABRA5GABRB2HSD17B10MAPTNPC1

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
EP-0620228-B1 Novel reactive thiophosphate derivatives of thia(dia)zole acetic acid and process for preparing the same LUCKY LTD (KR) 1998-03-11 EP claimed
EP-0628561-B1 Process for preparing cephalosporin compounds from reactive organic acid derivatives LUCKY LTD (KR) 1997-09-03 EP disclosed
US-5567813-A Process for preparing cephalosporin compounds from reactive organic acid derivatives LUCKY LTD. (KR) 1996-10-22 US disclosed
EP-0628561-A1 Process for preparing cephalosporin compounds from reactive organic acid derivatives LUCKY LTD. (KR) 1994-12-14 EP disclosed