SCHEMBL24075522

SCHEMBL24075522

CC(C)(C)OC(=O)Nc1ncnc2c1ncn2Cc1c(OCCCCC(=O)O)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ SLC29A1 Q99808 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ FGFR1 P11362 6/20 0.35
▸ FGFR4 P22455 6/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL24075549 0.91 SLC29A1 (0.37) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL24075653 0.90 HDAC1 (0.38) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL24075523 0.88 DOT1L (0.35) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL28948818 0.87 SLC29A1 (0.35) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL28948817 0.87 SLC29A1 (0.35) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL24075547 0.87 SLC29A1 (0.35) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL24074732 0.86 SLC29A1 (0.35) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL24075550 0.85 SLC29A1 (0.35) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL24075654 0.85 SLC29A1 (0.34) HDAC1HDAC2PDE4APDE4BPDE4C
SCHEMBL31028256 0.85 SLC29A1 (0.35) HDAC1HDAC2PDE4APDE4BPDE4C

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-2021239077-A1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2021-12-02 — — WO disclosed
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