SCHEMBL29222279

SCHEMBL29222279

COc1cccc2c(-c3ccccc3C3=Nc4ccccc4C3=O)c[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 3/20 0.49
▸ PGR P06401 3/20 0.49
▸ NR3C2 P08235 3/20 0.49
▸ AR P10275 3/20 0.49
▸ GSK3B P49841 6/20 0.45
▸ DYRK1A Q13627 2/20 0.45
▸ NFATC1 O95644 1/20 0.45
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ MEN1 O00255 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL29222264 0.81 CCNB2 (0.46) ARGSK3BDYRK1AALDH1A1KDM4E
SCHEMBL29222056 0.81 GSK3A (0.58) ARGSK3BALDH1A1KDM4EHPGD
SCHEMBL29222033 0.75 GSK3A (0.61) GSK3BALDH1A1KDM4EMEN1MAPT
Indoxyl Red SCHEMBL22890564 0.71 S100A4 (0.71) GSK3BALDH1A1KDM4EMEN1MAPT
Indoxyl Red SCHEMBL30636774 0.71 S100A4 (0.71) GSK3BALDH1A1KDM4EMEN1MAPT
SCHEMBL29222086 0.71 GSK3A (0.59) GSK3BALDH1A1MEN1MAPTKMT2A
SCHEMBL29222205 0.71 GSK3A (0.59) GSK3BALDH1A1TDP1SRCCTRB1
SCHEMBL7260711 0.69 KDM4E (0.62) NR3C1PGRNR3C2ARGSK3B
SCHEMBL28426927 0.67 CDK2 (0.53) GSK3BALDH1A1KDM4EHPGDMEN1
SCHEMBL9085502 0.67 PRKCB (0.67) GSK3BSRCCCNE1CDK2CCNB2

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-118125960-A Bisindole 3-ketone compound, application and preparation method thereof 云南农业大学 2024-06-04 — — CN disclosed
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