SCHEMBL25048526

CC(C)(C)OC(=O)N(CCCNC(=O)[C@H]1C[C@@H](n2cc(Br)c3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21)CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	METTL3	Q86U44	11/20	0.38

▸	DOT1L	Q8TEK3	3/20	0.38

▸	DNMT1	P26358	1/20	0.38

▸	PRMT5	O14744	1/20	0.36

▸	WDR77	Q9BQA1	1/20	0.36

▸	SRC	P12931	5/20	0.36

▸	EGFR	P00533	2/20	0.34

▸	ABL1	P00519	1/20	0.33

▸	ABL2	P42684	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.

Compound	similarity	top predicted	shared targets
SCHEMBL25048430	0.92	CHRNB2 (0.31)	METTL3DOT1LDNMT1
SCHEMBL25048829	0.89	METTL3 (0.37)	METTL3DOT1LDNMT1SRCEGFR
SCHEMBL31617992	0.82	METTL3 (0.38)	METTL3DOT1LDNMT1PRMT5SRC
SCHEMBL31617844	0.81	CHRNB2 (0.32)	SRC
SCHEMBL31617923	0.81	SRC (0.36)	SRCEGFR
SCHEMBL30941481	0.81	CHRNB2 (0.32)	—
SCHEMBL25048798	0.78	SRC (0.43)	SRCEGFR
SCHEMBL31617853	0.78	SRC (0.35)	METTL3PRMT5WDR77SRCEGFR
SCHEMBL31618112	0.78	METTL3 (0.38)	METTL3DOT1LDNMT1
SCHEMBL31617904	0.77	SRC (0.38)	METTL3PRMT5WDR77SRCEGFR

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
WO-2023017152-A1	SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION	ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE)	2023-02-16	—	—	WO	disclosed