SCHEMBL9319685

SCHEMBL9319685

O=C(O)c1c[nH]c(=O)c2ccc(O)c(O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.54
▸ SELL P14151 1/20 0.44
▸ SELP P16109 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SRC P12931 1/20 0.41
▸ PRKACA P17612 1/20 0.41
▸ PRKACG P22612 1/20 0.41
▸ PRKACB P22694 1/20 0.41
▸ CSNK2A2 P19784 4/20 0.40
▸ CSNK2B P67870 4/20 0.40
▸ CSNK2A1 P68400 4/20 0.40
▸ LCK P06239 2/20 0.40
▸ KDM3B Q7LBC6 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ RNASEH1 O60930 1/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.37
▸ ATG4B Q9Y4P1 1/20 0.37
▸ NAPRT Q6XQN6 1/20 0.37

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
SCHEMBL6838151 0.77 CYP1A2 (0.49) KDM4ESELLSELPCYP1A2HSD17B10
SCHEMBL9455846 0.73 KDM4E (0.58) KDM4ECYP1A2HSD17B10SRCCSNK2A2
SCHEMBL2676355 0.71 KDM4E (1.00) KDM4EHSD17B10CSNK2A2CSNK2BCSNK2A1
SCHEMBL2917987 0.68 KDM4E (0.62) KDM4ECYP1A2CSNK2A2CSNK2BCSNK2A1
SCHEMBL2920231 0.68 KDM4E (0.62) KDM4ECYP1A2CSNK2A2CSNK2BCSNK2A1
SCHEMBL2920920 0.67 KDM4E (0.54) KDM4ECYP1A2HSD17B10DYRK1AMEN1
SCHEMBL14595553 0.66 SELL (0.71) KDM4ESELLSELPCYP1A2HSD17B10
SCHEMBL2922360 0.65 KDM4E (0.56) KDM4ECYP1A2HSD17B10CSNK2A2CSNK2B
SCHEMBL29196591 0.64 KDM4E (0.56) KDM4ECYP1A2HSD17B10CSNK2A2CSNK2B
SCHEMBL2916325 0.64 KDM4E (0.54) KDM4ECYP1A2HSD17B10CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371220-A Bicyclo-heterocyclic intermediates for cephalosporin compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-12-06 — — US disclosed
US-5019570-A Antibioics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 — — US disclosed
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