SCHEMBL25488639

SCHEMBL25488639

Cc1cc(Nc2cccc(C(=O)Nc3cccc(Nc4ccccc4-[n+]4ccc(Nc5cccc(C(=O)Nc6cccc(Nc7ccccc7)c6)c5)cc4N)c3)c2)cc(N)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 4/20 0.45
▸ DNMT3A Q9Y6K1 4/20 0.45
▸ DNMT3L Q9UJW3 3/20 0.45
▸ EHMT1 Q9H9B1 2/20 0.45
▸ SIRT2 Q8IXJ6 2/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ KCNK3 O14649 6/20 0.40
▸ KCNK9 Q9NPC2 5/20 0.40
▸ POLB P06746 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL30290811 0.85 KCNK3 (0.53) DNMT1DNMT3ADNMT3LEHMT1SIRT2
SCHEMBL24010669 0.85 KCNK3 (0.53) DNMT1DNMT3ADNMT3LEHMT1SIRT2
SCHEMBL26321817 0.74 ABL1 (0.51) DNMT1DNMT3ADNMT3LEHMT1KCNK3
SCHEMBL30287677 0.72 POLB (0.55) DNMT1DNMT3ADNMT3LNPC1KCNK3
SCHEMBL30232750 0.72 POLB (0.55) DNMT1DNMT3ADNMT3LNPC1KCNK3
SCHEMBL24006110 0.72 POLB (0.55) DNMT1DNMT3ADNMT3LNPC1KCNK3
SCHEMBL24003919 0.72 POLB (0.55) DNMT1DNMT3ADNMT3LNPC1KCNK3
SCHEMBL25821618 0.72 SIRT2 (0.57) SIRT2NPC1KCNK3KCNK9POLB
SCHEMBL24010134 0.70 BRAF (0.49) DNMT1DNMT3ADNMT3LEHMT1KMT2A
SCHEMBL30290823 0.70 BRAF (0.49) DNMT1DNMT3ADNMT3LEHMT1KMT2A

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-2023081854-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2023-05-11 — — WO disclosed
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