SCHEMBL31604889

SCHEMBL31604889

CCOC(=O)c1c(C)oc2ccc(C=NNS(=O)(=O)c3ccc(C)cc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ PTGS2 P35354 3/20 0.54
▸ MAPT P10636 8/20 0.51
▸ TP53 P04637 3/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ LMNA P02545 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ HIF1A Q16665 1/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ KMT2A Q03164 6/20 0.48
▸ NPSR1 Q6W5P4 3/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ESR2 Q92731 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL31604837 0.87 KMT2A (0.52) POLBMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL23220454 0.80 POLB (0.83) POLBGAAMAPTTP53THRB
SCHEMBL29630289 0.75 PTGS2 (0.62) POLBPTGS2MAPTSMN1; SMN2LMNA
SCHEMBL24470969 0.75 PTGS2 (0.62) POLBPTGS2MAPTSMN1; SMN2LMNA
SCHEMBL18516741 0.75 PTGS2 (0.76) POLBGAAPTGS2MAPTSMN1; SMN2
SCHEMBL31605004 0.74 PTGS2 (0.71) POLBGAAPTGS2MAPTSMN1; SMN2
SCHEMBL31604878 0.74 PTGS2 (0.60) POLBPTGS2MAPTSMN1; SMN2LMNA
SCHEMBL31604825 0.74 ALDH1A1 (0.52) POLBPTGS2MAPTSMN1; SMN2LMNA
SCHEMBL18516845 0.73 RXFP1 (0.66) POLBGAAPTGS2MAPTTP53
SCHEMBL19057913 0.73 MAPT (0.83) POLBGAAMAPTTP53THRB

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-2025111414-A1 TRPM3-MODULATING BENZOFURAN DERIVATIVES KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-05-30 — — WO disclosed
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