SCHEMBL29222099

SCHEMBL29222099

O=C1C(c2ccccc2-c2c[nH]c3cc(Cl)ccc23)=Nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.59
▸ GSK3A P49840 12/20 0.59
▸ FLT3 P36888 5/20 0.53
▸ S100A4 P26447 1/20 0.50
▸ CDK5 Q00535 11/20 0.46
▸ CDK5R1 Q15078 11/20 0.46
▸ CCNB2 O95067 7/20 0.46
▸ CDK1 P06493 7/20 0.46
▸ CCNB1 P14635 7/20 0.46
▸ CCNB3 Q8WWL7 7/20 0.46
▸ SRC P12931 2/20 0.43
▸ CTRB1 P17538 2/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ AHR P35869 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ DYRK1A Q13627 2/20 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
SCHEMBL29222046 0.90 GSK3A (0.59) GSK3BGSK3AFLT3S100A4CDK5
SCHEMBL29222205 0.85 GSK3A (0.59) GSK3BGSK3AFLT3S100A4CDK5
Indoxyl Red SCHEMBL30636774 0.78 S100A4 (0.71) GSK3BGSK3AFLT3S100A4CDK5
Indoxyl Red SCHEMBL22890564 0.78 S100A4 (0.71) GSK3BGSK3AFLT3S100A4CDK5
SCHEMBL29222086 0.78 GSK3A (0.59) GSK3BGSK3AFLT3S100A4CDK5
SCHEMBL29222264 0.76 CCNB2 (0.46) GSK3BGSK3AFLT3S100A4CDK5
SCHEMBL29222037 0.76 CDK5 (0.58) GSK3BGSK3AFLT3S100A4CDK5
SCHEMBL29222058 0.75 S100A4 (0.47) GSK3BGSK3AFLT3S100A4CDK5
SCHEMBL29222033 0.75 GSK3A (0.61) GSK3BGSK3AFLT3S100A4CDK5
SCHEMBL30094663 0.74 GSK3A (1.00) GSK3BGSK3AFLT3CDK5CDK5R1

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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