Ampyrone

Ampyrone

SCHEMBL5973541

CCN(CC(O)CS(=O)(=O)O)c1cccc(C)c1.Cc1c(N)c(=O)n(-c2ccccc2)n1C

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.47
PTGS2 P35354 1/20 0.47
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
PTGS1 P23219 1/20 0.42
HSD17B10 Q99714 1/20 0.40
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.37
THRB P10828 1/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 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
SCHEMBL127387 0.81 GLA (0.44) ALDH1A1HTTHSD17B10POLBGLA
SCHEMBL29742941 0.80 GLA (0.46) ALDH1A1HSD17B10POLBGLASMN1; SMN2
SCHEMBL246863 0.80 GLA (0.44) ALDH1A1HTTHSD17B10POLBGLA
Water SCHEMBL22611645 0.79 GLA (0.43) ALDH1A1HTTHSD17B10POLBGLA
Water SCHEMBL29402591 0.79 GLA (0.46) ALDH1A1HSD17B10POLBGLASMN1; SMN2
Ampyrone SCHEMBL130194 0.78 BCHE (0.47) BCHEPTGS2ALDH1A1HTTPTGS1
Benzoquinone SCHEMBL1665500 0.78 GLA (0.41) ALDH1A1HTTHSD17B10GAAPOLB
SCHEMBL3255714 0.78 GLA (0.42) ALDH1A1HTTHSD17B10POLBGLA
Ampyrone SCHEMBL10870386 0.76 BCHE (0.73) BCHEPTGS2ALDH1A1PTGS1HSD17B10
Ampyrone SCHEMBL3178309 0.73 BCHE (0.56) BCHEPTGS2ALDH1A1HTTPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921198-B1 METHOD FOR ENZYMATICALLY ASSAYING SACCHARIFICATION PROTEIN ARKRAY INC (JP) 2006-07-19 EP disclosed
EP-0921198-A1 METHOD FOR ENZYMATICALLY ASSAYING SACCHARIFICATION PROTEIN Kyoto Daiichi Kagaku Co., Ltd. (JP) 1999-06-09 EP disclosed