SCHEMBL25047897

SCHEMBL25047897

O[C@@H]1[C@@H](CNCCCNCCc2ccc(F)cc2)C[C@@H](n2cc(-c3cccs3)c3cnc(Cl)nc32)[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PRMT5 O14744 3/20 0.32
▸ MET P08581 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ HCRTR1 O43613 4/20 0.31
▸ HCRTR2 O43614 4/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ HSD17B10 Q99714 2/20 0.30
▸ USP2 O75604 2/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ CASP1 P29466 2/20 0.30
▸ CASP7 P55210 2/20 0.30
▸ GLA P06280 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL30941512 1.00 CNR1 (0.33) CNR1CNR2MAPTPRMT5MET
SCHEMBL25048042 1.00 CNR1 (0.33) CNR1CNR2MAPTPRMT5MET
SCHEMBL30941105 0.83 PRMT5 (0.36) PRMT5
SCHEMBL25048561 0.83 PRMT5 (0.36) PRMT5
SCHEMBL25048546 0.81 PRMT5 (0.35) PRMT5
SCHEMBL30941173 0.79 PRMT5 (0.33) PRMT5
SCHEMBL25048902 0.79 PRMT5 (0.33) PRMT5
SCHEMBL25048434 0.77 PRMT5 (0.34) PRMT5
SCHEMBL30941121 0.76 — —
SCHEMBL25048971 0.76 CA2 (0.38) PRMT5

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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