SCHEMBL25047425

SCHEMBL25047425

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.39
▸ TRPV6 Q9H1D0 2/20 0.37
▸ HTR2C P28335 2/20 0.36
▸ RIPK2 O43353 1/20 0.35
▸ NNMT P40261 5/20 0.34
▸ PRMT5 O14744 2/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ UBA6 A0AVT1 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ DRD3 P35462 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL25048447 0.87 PIP4K2A (0.37) PIP4K2ANNMTPRMT5WDR77DRD2
SCHEMBL25046606 0.87 RIPK2 (0.44) RIPK2PRMT5WDR77
SCHEMBL25048722 0.87 PIP4K2A (0.39) PIP4K2ANNMTPRMT5WDR77UBA6
SCHEMBL25048961 0.85 DRD2 (0.40) PIP4K2ANNMTPRMT5WDR77OPRM1
SCHEMBL25049159 0.82 PIP4K2A (0.34) PIP4K2ARIPK2NNMTPRMT5WDR77
SCHEMBL25047597 0.80 PIP4K2A (0.37) PIP4K2ANNMTPRMT5WDR77UBA6
SCHEMBL16967987 0.77 PIP4K2A (0.49) PIP4K2ARIPK2PRMT5WDR77
SCHEMBL25047638 0.77 PRMT5 (0.42) PIP4K2APRMT5WDR77
SCHEMBL25049134 0.76 PIP4K2A (0.46) PIP4K2ANNMTPRMT5WDR77UBA6
SCHEMBL18571707 0.74 ABL1 (0.44) PIP4K2ANNMTPRMT5WDR77UBA6

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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