SCHEMBL30583244

SCHEMBL30583244

C[C@H](C=O)Cc1csc(N)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.46
GABRB2 P47870 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.41
NOS1 P29475 2/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3615864 0.80 GABRA5 (0.48) GABRA5GABRB2HSD17B10SMN1; SMN2NOS1
SCHEMBL9864531 0.73 HSD17B10 (0.56) GABRA5GABRB2HSD17B10SMN1; SMN2NOS1
Formamide SCHEMBL28176140 0.73 GABRA5 (0.50) GABRA5GABRB2HSD17B10SMN1; SMN2NOS1
SCHEMBL4264846 0.72 HSD17B10 (0.48) GABRA5GABRB2HSD17B10SMN1; SMN2NOS1
SCHEMBL4599509 0.72
SCHEMBL25915657 0.69 NOS1 (0.51) GABRA5GABRB2HSD17B10SMN1; SMN2NOS1
SCHEMBL8955092 0.69 HSD17B10 (0.59) GABRA5GABRB2HSD17B10SMN1; SMN2NOS1
SCHEMBL28694718 0.69 HSD17B10 (0.59) GABRA5GABRB2HSD17B10SMN1; SMN2NOS1
Glyoxylate SCHEMBL2646314 0.69 GABRA5 (0.59) GABRA5GABRB2HSD17B10SMN1; SMN2NOS1
SCHEMBL3610487 0.69 GABRA5 (0.58) GABRA5GABRB2HSD17B10SMN1; SMN2NOS1

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-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed