SCHEMBL25040029

SCHEMBL25040029

Cc1c(NC[C@H]2CC[C@H](N)CC2)ccc(N2CC(C)OC(C)C2)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PTGER4 P35408 3/20 0.35
▸ KHK P50053 3/20 0.34
▸ USP30 Q70CQ3 1/20 0.32
▸ LRRK2 Q5S007 3/20 0.31
▸ F2 P00734 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE3A Q14432 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL30279292 1.00 KDM4E (0.36) KDM4EHTTPTGER4KHKUSP30
SCHEMBL13462757 0.92 KDM4E (0.35) KDM4EHTTPTGER4KHKUSP30
SCHEMBL13439151 0.92 KDM4E (0.35) KDM4EHTTPTGER4KHKUSP30
SCHEMBL25039786 0.92 KDM4E (0.35) KDM4EHTTPTGER4KHKUSP30
SCHEMBL11935409 0.92 KDM4E (0.35) KDM4EHTTPTGER4KHKUSP30
SCHEMBL30279015 0.92 KDM4E (0.35) KDM4EHTTPTGER4KHKUSP30
SCHEMBL13438928 0.92 KDM4E (0.36) KDM4EHTTPTGER4KHKUSP30
SCHEMBL11935239 0.92 KDM4E (0.36) KDM4EHTTPTGER4KHKUSP30
SCHEMBL13462796 0.92 KDM4E (0.36) KDM4EHTTPTGER4KHKUSP30
SCHEMBL30279042 0.91 PTGER4 (0.36) KDM4EPTGER4KHKLRRK2F2

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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