SCHEMBL24075654

SCHEMBL24075654

Cc1nnc(CCCCOc2ccc(Cl)c(Cl)c2Cn2cnc3c(NC(=O)OC(C)(C)C)ncnc32)s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.34
▸ GLS O94925 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ FGFR1 P11362 6/20 0.31
▸ FGFR4 P22455 6/20 0.31
▸ HDAC1 Q13547 3/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL24075637 0.86 SLC29A1 (0.33) SLC29A1HTTPDE4APDE4BPDE4C
SCHEMBL24075549 0.86 SLC29A1 (0.37) SLC29A1HTTPDE4APDE4BPDE4C
SCHEMBL31028278 0.86 SLC29A1 (0.32) SLC29A1HTTPDE4APDE4BPDE4C
SCHEMBL24075522 0.85 HDAC1 (0.39) SLC29A1HTTPDE4APDE4BPDE4C
SCHEMBL24075547 0.85 SLC29A1 (0.35) SLC29A1HTTPDE4APDE4BPDE4C
SCHEMBL24075653 0.82 HDAC1 (0.38) SLC29A1HTTPDE4APDE4BPDE4C
SCHEMBL24075523 0.81 DOT1L (0.35) SLC29A1HTTPDE4APDE4BPDE4C
SCHEMBL24074732 0.81 SLC29A1 (0.35) SLC29A1HTTPDE4APDE4BPDE4C
SCHEMBL24075550 0.80 SLC29A1 (0.35) SLC29A1HTTPDE4APDE4BPDE4C
SCHEMBL28948817 0.80 SLC29A1 (0.35) SLC29A1HTTPDE4APDE4BPDE4C

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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