SCHEMBL25041890

SCHEMBL25041890

CCC1CN(c2ccc(NC3CC4(CC(N)C4)C3)c(C)n2)CC(C)O1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ IRAK1 P51617 1/20 0.30

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
SCHEMBL31206114 1.00 KDM4E (0.32) KDM4EALDH1A1GAAKMT2AIRAK1
SCHEMBL31206052 1.00 KDM4E (0.32) KDM4EALDH1A1GAAKMT2AIRAK1
SCHEMBL25041916 0.94 IRAK1 (0.30) IRAK1
SCHEMBL30279260 0.91 KMT2A (0.38) KDM4EALDH1A1GAAKMT2AIRAK1
SCHEMBL25042272 0.91 KMT2A (0.38) KDM4EALDH1A1GAAKMT2AIRAK1
SCHEMBL25041920 0.88 KDM4E (0.34) KDM4EALDH1A1GAAKMT2A
SCHEMBL30278980 0.88 KDM4E (0.34) KDM4EALDH1A1GAAKMT2A
SCHEMBL25041780 0.87 KDM4E (0.34) KDM4EALDH1A1GAAKMT2A
SCHEMBL25039866 0.87 KDM4E (0.34) KDM4EALDH1A1GAAKMT2A
SCHEMBL25041783 0.87 KDM4E (0.34) KDM4EALDH1A1GAAKMT2A

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-2023016447-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-02-16 — — WO disclosed
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