SCHEMBL9684032

SCHEMBL9684032

CCOC(=O)c1no[n+]([O-])c1C(=O)OCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.61
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.43
HTT P42858 4/20 0.43
HPGD P15428 3/20 0.43
MAPK1 P28482 3/20 0.43
NPC1 O15118 2/20 0.43
HSP90AA1 P07900 2/20 0.43
RAB9A P51151 2/20 0.43
MITF O75030 1/20 0.43
TARBP2 Q15633 5/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PTPN7 P35236 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
CATSPER1 Q8NEC5 2/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL30999083 0.81 GLA (0.49) GLAMAPTALDH1A1HTTHPGD
SCHEMBL2079547 0.80 GLA (0.58) GLAMAPTALDH1A1HTTHPGD
SCHEMBL11419688 0.78 MAPT (0.47) GLAMAPTALDH1A1HTTHPGD
SCHEMBL30999077 0.75 GLA (0.44) GLAMAPTALDH1A1HTTHPGD
SCHEMBL11603030 0.71 MAPT (0.44) GLAMAPTALDH1A1HTTHPGD
SCHEMBL13382297 0.70 HTT (0.49) MAPTALDH1A1HTTHPGDTARBP2
SCHEMBL31094879 0.69 GLA (0.43) GLAMAPTALDH1A1HTTHPGD
SCHEMBL7759218 0.67 HDAC1 (0.64) GLAMAPTALDH1A1MAPK1RAB9A
SCHEMBL9306625 0.67 GLA (0.45) GLAMAPTALDH1A1HPGDMAPK1
SCHEMBL13815989 0.67 HTT (0.47) MAPTALDH1A1HTTHPGDNPC1

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
WO-2025244913-A1 ONE-POT SYNTHESIS OF DISUBSTITUTED FUROXANS PURDUE RESEARCH FOUNDATION (US) 2025-11-27 WO claimed
WO-2025244913-A1 ONE-POT SYNTHESIS OF DISUBSTITUTED FUROXANS PURDUE RESEARCH FOUNDATION (US) 2025-11-27 WO disclosed
WO-2025244913-A1 ONE-POT SYNTHESIS OF DISUBSTITUTED FUROXANS PURDUE RESEARCH FOUNDATION (US) 2025-11-27 WO disclosed
US-5162572-A Process for preparation of nitroacetate W.R. GRACE & CO.-CONN. (US) 1992-11-10 US disclosed