SCHEMBL25042422

SCHEMBL25042422

Cc1c(NCC2CCCCC2)ccc(N2CC(C)OC(C)C2)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AOC1 P19801 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH3A1 P30838 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ ASPH Q12797 1/20 0.33
▸ RIOX2 Q8IUF8 1/20 0.33
▸ KDM8 Q8N371 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CD38 P28907 1/20 0.32
▸ GAA P10253 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
SCHEMBL25042158 0.88 PTGER4 (0.36) LMNATSHRKDM4EALDH1A1PTGER4
SCHEMBL30279042 0.88 PTGER4 (0.36) LMNATSHRKDM4EALDH1A1PTGER4
SCHEMBL13439115 0.81 PTGER4 (0.30) PTGER4
SCHEMBL25039761 0.81 MEN1 (0.36) KDM4CLMNANPC1ALOX15TSHR
SCHEMBL17090158 0.81 NPY5R (0.35) LMNAKDM4EBRD4
SCHEMBL13565437 0.81 NPY5R (0.35) LMNAKDM4EBRD4
SCHEMBL25042433 0.79 KDM4E (0.46) KDM4EALDH1A1ASPHRIOX2KDM8
SCHEMBL30279292 0.79 KDM4E (0.36) KDM4EALDH1A1PTGER4GAASMN1; SMN2
SCHEMBL25040029 0.79 KDM4E (0.36) KDM4EALDH1A1PTGER4GAASMN1; SMN2
SCHEMBL13439151 0.78 KDM4E (0.35) KDM4EPTGER4

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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