SCHEMBL25047760

SCHEMBL25047760

COc1cccc([C@H]2C[C@@H](n3cc(Br)c4c(N)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 5/20 0.35
▸ MAPK1 P28482 3/20 0.34
▸ CHKA P35790 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ CHKB Q9Y259 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NT5E P21589 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ EGFR P00533 1/20 0.31
▸ ABL2 P42684 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL30941554 1.00 METTL3 (0.35) METTL3MAPK1CHKAGAACHKB
SCHEMBL30941728 1.00 METTL3 (0.35) METTL3MAPK1CHKAGAACHKB
SCHEMBL30940742 0.92 HTR2A (0.32) METTL3MAPK1GAAHTR2AHTR2C
SCHEMBL25048303 0.92 HTR2A (0.32) METTL3MAPK1GAAHTR2AHTR2C
SCHEMBL25048847 0.92 METTL3 (0.34) METTL3
SCHEMBL25048457 0.86 METTL3 (0.42) METTL3BACE1
SCHEMBL30940938 0.86 METTL3 (0.42) METTL3BACE1
SCHEMBL25049313 0.86 METTL3 (0.36) METTL3
SCHEMBL30940973 0.86 METTL3 (0.36) METTL3
SCHEMBL25047761 0.85 PRMT5 (0.39) METTL3MAPK1CHKAGAACHKB

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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