SCHEMBL29107245

SCHEMBL29107245

COC(=O)c1ccc(CN2c3ccccc3SC2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SIRT1 Q96EB6 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ GSK3B P49841 3/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL21803243 0.79 GSK3B (0.44) GSK3BTP53PPARGRAB9A
SCHEMBL29107250 0.78 PPARG (0.41) TP53PPARG
Iodide SCHEMBL28993212 0.78 GSK3B (0.43) GSK3BTP53PPARGRAB9A
SCHEMBL29107251 0.77 PPARG (0.40) MEN1KMT2AMAPTGSK3BHDAC6
SCHEMBL29107246 0.77 SMN1; SMN2 (0.48) MEN1KMT2AMAPTTP53PPARG
SCHEMBL21449136 0.76 HDAC6 (0.69) MAPTHDAC6HDAC1TP53HDAC3
SCHEMBL29107254 0.75 DRD2 (0.41) MEN1KMT2AMAPTGSK3BHDAC6
SCHEMBL29107249 0.74 GSK3B (0.40) MEN1KMT2AMAPTGSK3BTP53
SCHEMBL29107247 0.74 CHRM5 (0.43) SIRT1MAPTGSK3BHDAC6HDAC1
SCHEMBL3970143 0.72 HDAC1 (0.72) SIRT1MAPTHDAC6HDAC1TP53

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-117069742-A Spiro [ pyridine-thiazolidine ] compound and preparation method and application thereof 五邑大学 2023-11-17 — — CN disclosed
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