SCHEMBL30023002

SCHEMBL30023002

O=C(O)c1cc2ccc(C3=CCOCC3)cc2c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKE Q14164 1/20 0.48
▸ TBK1 Q9UHD2 1/20 0.48
▸ HTR1D P28221 1/20 0.39
▸ FABP7 O15540 3/20 0.39
▸ KDM4C Q9H3R0 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ FABP5 Q01469 2/20 0.37
▸ FABP3 P05413 1/20 0.37
▸ MAPK14 Q16539 4/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ PRMT5 O14744 1/20 0.33

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
SCHEMBL30023414 0.86 IKBKE (0.41) IKBKETBK1HTR1DFABP7KDM4C
SCHEMBL31229851 0.76 IKBKE (0.48) IKBKETBK1HTR1DFABP7KDM4C
SCHEMBL30023029 0.74 IKBKE (0.50) IKBKETBK1HTR1DFABP7KDM4C
SCHEMBL5975156 0.72 KDM4C (0.40) IKBKETBK1HTR1DKDM4CMAPK14
SCHEMBL30570851 0.71 MAPK14 (0.39) IKBKETBK1HTR1DFABP7FABP5
SCHEMBL420951 0.70 IKBKE (0.44) IKBKETBK1FABP7FABP5FABP3
SCHEMBL1572799 0.70 GSK3B (0.59) IKBKETBK1FABP7GSK3B
SCHEMBL28901595 0.68 IKBKE (0.44) IKBKETBK1HTR1DFABP7FABP5
SCHEMBL23930140 0.68 IKBKE (0.43) IKBKETBK1HTR1DFABP7GSK3B
SCHEMBL30023884 0.68 IKBKE (0.43) IKBKETBK1HTR1DFABP7GSK3B

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-115397822-A CBP/EP300 inhibitors and uses thereof 南京药石科技股份有限公司 2022-11-25 — — CN disclosed
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