SCHEMBL9682539

SCHEMBL9682539

O=C(OO)c1cccc[n+]1[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 5/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 1/20 0.37
CCR8 P51685 2/20 0.34
KCNH2 Q12809 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
PCTP Q9UKL6 1/20 0.32
STARD10 Q9Y365 1/20 0.32
CCR9 P51686 1/20 0.32

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
SCHEMBL2026022 0.82 TSHR (0.45) KDM4ETDP1LMNAALDH1A1KMT2A
SCHEMBL2833136 0.79 KDM4E (0.43) KDM4ETDP1LMNAHTTALDH1A1
SCHEMBL30488814 0.79 KDM4E (0.43) KDM4ETDP1LMNAHTTALDH1A1
SCHEMBL2955454 0.78 TDP1 (0.37) KDM4ETDP1LMNAHTTALDH1A1
SCHEMBL29475148 0.77 KDM4E (0.44) KDM4ETDP1LMNAHTTALDH1A1
SCHEMBL1489277 0.77 KDM4E (0.44) KDM4ETDP1LMNAHTTALDH1A1
Zinc Ion SCHEMBL9440226 0.75 KDM4E (0.43) KDM4ETDP1LMNAHTTALDH1A1
SCHEMBL4833163 0.75 TDP1 (0.43) KDM4ETDP1LMNAHTTALDH1A1
SCHEMBL2274172 0.75 KDM4E (0.43) KDM4ETDP1LMNAHTTALDH1A1
SCHEMBL11592623 0.73 MGLL (0.38) KDM4ETDP1KMT2ASLC2A1CCR8

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-5153189-A Bleaches, oxidants, disinfectants HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-06 US disclosed