SCHEMBL25047774

SCHEMBL25047774

C#CCOc1ccc(CNCCCN(C[C@H]2O[C@@H](n3cnc4c(NC(=O)OC(C)(C)C)ncnc43)[C@@H]3OC(C)(C)O[C@@H]32)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 5/20 0.38
▸ PI4KA P42356 1/20 0.36
▸ PI4K2B Q8TCG2 1/20 0.36
▸ PI4K2A Q9BTU6 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ SLC29A1 Q99808 2/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ P2RX1 P51575 1/20 0.34
▸ P2RX3 P56373 1/20 0.34
▸ P2RX4 Q99571 1/20 0.34

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
SCHEMBL25046558 0.83 PI4KA (0.46) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL25047611 0.78 DOT1L (0.45) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL29695854 0.76 RXFP1 (0.49) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL24450929 0.76 RXFP1 (0.49) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL20711275 0.76 RXFP1 (0.48) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL24450651 0.76 PI4KA (0.51) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL29695827 0.76 PI4KA (0.51) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL18069462 0.76 PI4KA (0.52) DOT1LPI4KAPI4K2BPI4K2API4KB
SCHEMBL20699834 0.76 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBSLC29A1
SCHEMBL18571809 0.76 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBSLC29A1

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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