SCHEMBL2701829

SCHEMBL2701829

[CH2]COc1cccc2c1C(=O)NC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PARP1 P09874 4/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.38
▸ CASP3 P42574 6/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ CASP2 P42575 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CASP8 Q14790 1/20 0.37
▸ KCNA5 P22460 1/20 0.36
▸ GSK3A P49840 2/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ KCNA3 P22001 1/20 0.36
▸ STK10 O94804 1/20 0.35
▸ CLK2 P49760 1/20 0.35

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
SCHEMBL7399139 0.83 DDB1 (0.46) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL3435349 0.82 CYP3A4 (0.44) GSK3BKDM4EALDH1A1GAAHPGD
Water SCHEMBL8678456 0.81 DDB1 (0.45) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL7648225 0.80 CYP2A6 (0.43) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL11064554 0.80 KCNA3 (0.40) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL10776993 0.80 CDK2 (0.43) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL262473 0.80 GSK3B (0.50) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL28099802 0.80 GSK3B (0.50) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL22930414 0.79 CYP3A4 (0.44) GSK3BKDM4EALDH1A1GAAHPGD
SCHEMBL8133117 0.79 DDB1 (0.49) KDM4EALDH1A1GAAHPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448600-B1 COMPOUNDS TARGETING THE CATION-INDEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR INSERM INST NAT DE LA SANTÉ ET DE LA RECH MÉDICALE (FR) 2016-03-30 — — EP disclosed
US-8962573-B2 Compounds targeting the cation-independent mannose 6-phosphate receptor INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2015-02-24 — — US disclosed
EP-2448600-A1 COMPOUNDS TARGETING THE CATION-INDEPENDENT MANNOSE 6-PHOSPHATE RECEPTOR INSERM - Institut National de la Santé et de la Recherche Médicale (FR) 2012-05-09 — — EP disclosed
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