SCHEMBL31500519

SCHEMBL31500519

COC(=O)c1ccc(C)c[n+]1[O-].COC(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
PTGS2 P35354 1/20 0.46
PKM P14618 4/20 0.44
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
KMT2A Q03164 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
PAX8 Q06710 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
CASP1 P29466 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GRM4 Q14833 3/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL29877642 0.83 TDP1 (0.47) MAPTKDM4EPOLBRAB9AKMT2A
SCHEMBL2255243 0.83 TDP1 (0.47) MAPTKDM4EPOLBRAB9AKMT2A
SCHEMBL29576494 0.78 KDM4E (0.68) MAPTKDM4EPOLBPKMNPC1
SCHEMBL30166417 0.78 KDM4E (0.68) MAPTKDM4EPOLBPKMNPC1
SCHEMBL247011 0.78 KDM4E (0.68) MAPTKDM4EPOLBPKMNPC1
Hydrochloric Acid SCHEMBL30827488 0.77 KDM4E (0.66) MAPTKDM4EPOLBPKMNPC1
Hydrochloric Acid SCHEMBL4430906 0.77 KDM4E (0.66) MAPTKDM4EPOLBPKMNPC1
Hydrochloric Acid SCHEMBL30779106 0.77 KDM4E (0.66) MAPTKDM4EPOLBPKMNPC1
Hydrochloric Acid SCHEMBL9500180 0.77 KDM4E (0.66) MAPTKDM4EPOLBPKMNPC1
SCHEMBL27536281 0.77 KDM4E (0.66) MAPTKDM4EPOLBPKMNPC1

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
WO-2025078263-A1 MICROBIOCIDAL PYRIDYL PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2025-04-17 WO disclosed