SCHEMBL8768619

SCHEMBL8768619

CCP(=S)(CC)OC(=O)/C=N\OCc1csc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 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
SCHEMBL8896803 0.82 NPC1 (0.47) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL8896790 0.82 NPC1 (0.47) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL2789164 0.78 GABRA5 (0.51) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL4824847 0.78 GABRA5 (0.47) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL3999942 0.78 GABRA5 (0.51) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL8913011 0.76 GABRA5 (0.50) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL8768623 0.72 GABRA5 (0.43) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL8526129 0.72 GABRA5 (0.43) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL9600369 0.71 SMN1; SMN2 (0.45) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1
SCHEMBL7785401 0.68 ALDH1A1 (0.36) GABRA5GABRB2HSD17B10SMN1; SMN2NPC1

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-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