SCHEMBL9306625

SCHEMBL9306625

CCOC(=O)c1cc2c(no[n+]2[O-])s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.45
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 4/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HPGD P15428 2/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
MAPT P10636 5/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 2/20 0.36
JAK2 O60674 1/20 0.36

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
SCHEMBL31302506 0.68 PTPN2 (0.43) GLAHDAC3HDAC4HDAC1HDAC6
SCHEMBL7759218 0.68 HDAC1 (0.64) GLAHDAC1L3MBTL1GAAMAPK1
SCHEMBL9684032 0.67 GLA (0.61) GLAMAPK1KDM4EALDH1A1HPGD
SCHEMBL1697881 0.67 CDC7 (0.47) GLAHDAC3HDAC4HDAC1HDAC6
SCHEMBL25237575 0.66 MAPT (0.49) GLAHDAC3HDAC4HDAC1HDAC6
SCHEMBL31207848 0.66 MAPT (0.49) GLAHDAC3HDAC4HDAC1HDAC6
SCHEMBL31302532 0.66 LMNA (0.51) GLAHDAC3HDAC4HDAC1HDAC6
SCHEMBL2079547 0.65 GLA (0.58) GLAL3MBTL1GAAMAPK1TSHR
SCHEMBL16475083 0.65 MAPT (0.48) HDAC3HDAC4HDAC1HDAC6L3MBTL1
SCHEMBL13144354 0.65 PTPN2 (0.43) GLAHDAC3HDAC4HDAC1HDAC6

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
US-5360812-A Fused 1,2,5-oxadiazole-2-oxides and their use CASSELLA AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed