SCHEMBL23407752

SCHEMBL23407752

Brc1cc(-c2cc(-c3ccc4c(c3)OCO4)n[nH]2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
ALOX12 P18054 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
NR0B1 P51843 1/20 0.49
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL29996029 1.00 SNCA (0.68) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL10057827 0.87 SNCA (0.77) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL23407836 0.86 SNCA (0.69) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL23407806 0.85 SNCA (0.61) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL30203697 0.85 SNCA (0.61) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL23407797 0.85 SNCA (0.61) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL29995270 0.85 SNCA (0.61) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL30203563 0.84 SNCA (0.49) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL23407770 0.84 SNCA (0.49) SNCASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL22890886 0.83 SNCA (0.73) SNCASMN1; SMN2NPC1MAPTRAB9A

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-2021099518-A1 NOVEL COMPOUNDS FOR THE DIAGNOSIS, TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH THE AGGREGATION OF ALPHA-SYNUCLEIN MODAG GMBH (DE) 2021-05-27 WO disclosed