SCHEMBL30558064

SCHEMBL30558064

CCOC(=O)c1c(C=O)nc(SC)nc1OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ POLB P06746 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ SYK P43405 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL30558061 1.00 SMN1; SMN2 (0.39) SMN1; SMN2MAPTTSHRKMT2ALMNA
SCHEMBL25365319 1.00 SMN1; SMN2 (0.39) SMN1; SMN2MAPTTSHRKMT2ALMNA
SCHEMBL25366809 0.88 ALDH1A1 (0.38) SMN1; SMN2MAPTTSHRKMT2ALMNA
SCHEMBL30726179 0.85 SMN1; SMN2 (0.42) SMN1; SMN2MAPTTSHRKMT2ALMNA
SCHEMBL26620710 0.85 SMN1; SMN2 (0.42) SMN1; SMN2MAPTTSHRKMT2ALMNA
SCHEMBL30558043 0.82 MAPT (0.41) SMN1; SMN2MAPTTSHRKMT2ALMNA
SCHEMBL25366055 0.82 MAPT (0.41) SMN1; SMN2MAPTTSHRKMT2ALMNA
SCHEMBL25366832 0.81 ALDH1A1 (0.41) MAPTTSHRKMT2ALMNAMEN1
SCHEMBL30558073 0.81 ALDH1A1 (0.41) MAPTTSHRKMT2ALMNAMEN1
SCHEMBL25220710 0.76 ALDH1A1 (0.45) SMN1; SMN2MAPTTSHRKMT2ALMNA

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-4486454-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2025-01-08 — — EP disclosed
WO-2023156648-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-24 — — WO disclosed
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