SCHEMBL25041783

SCHEMBL25041783

CCC1CN(c2ccc(NC3CCC(N)CC3)c(C)n2)CC(C)O1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HRH4 Q9H3N8 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPKAPK2 P49137 5/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK4 P11802 1/20 0.31
▸ CCND1 P24385 1/20 0.31
▸ CDK7 P50613 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ CCNH P51946 1/20 0.31
▸ TTK P33981 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ MAPK8 P45983 1/20 0.30
▸ MAPK10 P53779 1/20 0.30
▸ EIF2AK4 Q9P2K8 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
SCHEMBL25041780 1.00 KDM4E (0.34) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25039866 1.00 KDM4E (0.34) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25041915 0.94 HRH4 (0.36) HRH4MAPKAPK2CCNT1CDK4CCND1
SCHEMBL25041906 0.94 HRH4 (0.36) HRH4MAPKAPK2CCNT1CDK4CCND1
SCHEMBL30278980 0.91 KDM4E (0.34) KDM4EALDH1A1GAAKMT2AEIF2AK4
SCHEMBL25041920 0.91 KDM4E (0.34) KDM4EALDH1A1GAAKMT2AEIF2AK4
SCHEMBL25039945 0.90 KMT2A (0.40) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25039932 0.90 KMT2A (0.40) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25040044 0.90 KMT2A (0.40) KDM4EALDH1A1GAAHRH4KMT2A
SCHEMBL25041890 0.87 KDM4E (0.32) 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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