SCHEMBL8526643

SCHEMBL8526643

CCP(=S)(CC)C(=NOCCc1csc(N)n1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.41
GABRB2 P47870 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 4/20 0.38
NOS1 P29475 1/20 0.36
NPC1 O15118 3/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AOC3 Q16853 1/20 0.34
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
SCHEMBL8526129 0.88 GABRA5 (0.43) GABRA5GABRB2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8768623 0.88 GABRA5 (0.43) GABRA5GABRB2HSD17B10SMN1; SMN2RAB9A
SCHEMBL8526155 0.78 LMNA (0.36) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL8526934 0.70 GABRA5 (0.49) GABRA5GABRB2HSD17B10SMN1; SMN2RAB9A
SCHEMBL9600369 0.68 SMN1; SMN2 (0.45) GABRA5GABRB2HSD17B10SMN1; SMN2RAB9A
SCHEMBL27683802 0.68 SMN1; SMN2 (0.54) GABRA5GABRB2HSD17B10SMN1; SMN2RAB9A
SCHEMBL3539057 0.68 SMN1; SMN2 (0.52) GABRA5GABRB2HSD17B10SMN1; SMN2RAB9A
SCHEMBL4970134 0.65 SMN1; SMN2 (0.59) GABRA5GABRB2HSD17B10SMN1; SMN2RAB9A
SCHEMBL2456530 0.64 MAPT (0.52) GABRA5GABRB2HSD17B10RAB9ANPC1
SCHEMBL9691586 0.64 MAPT (0.52) GABRA5GABRB2HSD17B10RAB9ANPC1

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 1 patent. 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