SCHEMBL25046606

SCHEMBL25046606

Cc1cccc(C2CCC(n3ccc4c(N)ncnc43)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK2 O43353 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PRMT5 O14744 16/20 0.41
▸ WDR77 Q9BQA1 7/20 0.39
▸ MEN1 O00255 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
SCHEMBL25047425 0.87 PIP4K2A (0.39) RIPK2PRMT5WDR77
SCHEMBL25047449 0.86 RIPK2 (0.42) RIPK2PRMT5WDR77MEN1
SCHEMBL25047466 0.86 PRMT5 (0.42) PRMT5WDR77MEN1
SCHEMBL25048378 0.86 PRMT5 (0.45) RIPK2PRMT5WDR77MEN1
SCHEMBL25047638 0.85 PRMT5 (0.42) PRMT5WDR77
SCHEMBL25049275 0.85 PRMT5 (0.45) PRMT5WDR77MEN1
SCHEMBL25047906 0.84 PRMT5 (0.43) PRMT5WDR77MEN1
SCHEMBL25048170 0.83 PRMT5 (0.46) PRMT5WDR77
SCHEMBL25046757 0.82 PRMT5 (0.38) RIPK2PRMT5WDR77MEN1
SCHEMBL25047434 0.81 PRMT5 (0.43) PRMT5WDR77MEN1

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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