SCHEMBL29638294

SCHEMBL29638294

O=C1Nc2ccc(F)cc2/C1=C/c1ccco1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 5/20 0.72
ALDH1A1 P00352 1/20 0.72
MAPT P10636 1/20 0.72
GSK3B P49841 2/20 0.66
FLT3 P36888 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 1/20 0.54
CDK2 P24941 3/20 0.53
CCNE1 P24864 2/20 0.53
CCNE2 O96020 1/20 0.53
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.52
BLM P54132 1/20 0.52
PPP1CA P62136 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
PAK4 O96013 1/20 0.52
KDR P35968 1/20 0.51

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
SCHEMBL5728155 0.89 RPS6KA3 (0.68) RPS6KA3ALDH1A1MAPTGSK3BMEN1
SCHEMBL5728158 0.89 RPS6KA3 (0.68) RPS6KA3ALDH1A1MAPTGSK3BMEN1
SCHEMBL5359074 0.84 MAPT (0.72) RPS6KA3ALDH1A1MAPTGSK3BMEN1
SCHEMBL17179633 0.84 MAPT (1.00) RPS6KA3ALDH1A1MAPTGSK3BMEN1
SCHEMBL6835408 0.84 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BMEN1
SCHEMBL18499299 0.84 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BFLT3
SCHEMBL6849771 0.84 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BMEN1
SCHEMBL13080516 0.84 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BMEN1
SCHEMBL20839 0.81 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BFLT3
SCHEMBL905690 0.81 RPS6KA3 (1.00) RPS6KA3ALDH1A1MAPTGSK3BFLT3

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-111116452-B Indolone derivatives with alpha-glucosidase inhibitory activity as well as preparation method and application thereof 五邑大学 2022-05-03 CN disclosed