SCHEMBL30828341

SCHEMBL30828341

CCC(=O)Nc1ccc2nc(-c3ccc(-c4ccc(N(C)C)nc4)cc3)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.53
MAPT P10636 10/20 0.52
RAB9A P51151 9/20 0.52
NPC1 O15118 8/20 0.52
KDM4E B2RXH2 7/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
SMN1; SMN2 Q16637 6/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 5/20 0.47
SULT1A1 P50225 1/20 0.47
PKM P14618 1/20 0.47
RORC P51449 1/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL30006266 0.89 APP (0.55) APPMAPTRAB9ANPC1KDM4E
SCHEMBL27173183 0.89 APP (0.55) APPMAPTRAB9ANPC1KDM4E
SCHEMBL26518067 0.84 APP (0.57) APPMAPT
SCHEMBL28786192 0.84 APP (0.52) APPMAPTRAB9ANPC1KDM4E
SCHEMBL23364361 0.83 APP (0.53) APPMAPTRAB9ANPC1KDM4E
SCHEMBL29874189 0.83 APP (0.53) APPMAPTRAB9ANPC1KDM4E
SCHEMBL13394576 0.79 APP (0.62) APPMAPTMEN1KMT2ASULT1A1
SCHEMBL14450187 0.78 APP (0.67) APPMAPTMEN1KMT2ASULT1A1
SCHEMBL29453199 0.78 APP (0.76) APPMAPTSMN1; SMN2TP53SULT1A1
SCHEMBL27173199 0.78 APP (0.76) APPMAPTSMN1; SMN2TP53SULT1A1

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
CN-117377496-A Compounds for degrading alpha-synuclein aggregates and uses thereof 新旭生技股份有限公司 2024-01-09 CN disclosed