SCHEMBL30737232

SCHEMBL30737232

O=C(CCOCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NCCCNC(=O)c1cccc2c(Oc3ccc(C(=O)O)cn3)cccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.41
FOLH1 Q04609 6/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGER3 P43115 1/20 0.36
DGAT1 O75907 5/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL30737153 0.94 HCAR3 (0.38) HCAR3FOLH1KMT2AMAPTALDH1A1
SCHEMBL30737421 0.89 FOLH1 (0.35) FOLH1KMT2AMAPTALDH1A1MEN1
SCHEMBL30736995 0.88 SORT1 (0.45) HCAR3FOLH1KMT2ADGAT1
SCHEMBL31646191 0.79 HCAR3 (0.48) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL30737241 0.74 HDAC3 (0.37) KMT2AMAPTALDH1A1MEN1SMN1; SMN2
SCHEMBL30737086 0.72 PLK1 (0.38) KMT2A
SCHEMBL31646647 0.72 HCAR3 (0.44) HCAR3KMT2AMAPTALDH1A1MEN1
SCHEMBL21531133 0.70 KMT2A (0.44) HCAR3FOLH1KMT2AMAPTALDH1A1
SCHEMBL21531212 0.69 MAPT (0.52) HCAR3FOLH1KMT2AMAPTALDH1A1
SCHEMBL31481345 0.68 MAPT (0.57) HCAR3FOLH1KMT2AMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4543858-A1 BIFUNCTIONAL MOLECULES THAT SELECTIVELY INDUCE DEGRADATION OF EXTRACELLULAR TARGETS IN LYSOSOMES Draupnir Bio ApS (DK) 2025-04-30 EP disclosed
WO-2023247754-A1 BIFUNCTIONAL MOLECULES THAT SELECTIVELY INDUCE DEGRADATION OF EXTRACELLULAR TARGETS IN LYSOSOMES DRAUPNIR BIO APS (DK) 2023-12-28 WO disclosed