SCHEMBL7872528

SCHEMBL7872528

CC(C)(C)OC(=O)NCCNC(=O)c1cccc2c1OCCC([C]=O)=C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.37
KCNA5 P22460 1/20 0.37
CXCR2 P25025 1/20 0.37
MALT1 Q9UDY8 1/20 0.36
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HTT P42858 1/20 0.33
BCHE P06276 1/20 0.33
NAMPT P43490 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CSNK1D P48730 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL7700721 0.81 CXCR2 (0.35) NQO2KCNA5CXCR2MALT1LMNA
SCHEMBL28027633 0.72 KCNA5 (0.56) NQO2KCNA5CXCR2MALT1GAA
SCHEMBL14691066 0.67 DRD2 (0.45) NQO2KCNA5CXCR2MALT1LMNA
SCHEMBL1657927 0.67 ESRRG (0.56) KCNA5CXCR2MALT1GAAHPGD
SCHEMBL9540574 0.67 KCNA5 (0.58) NQO2KCNA5CXCR2MALT1LMNA
SCHEMBL4059012 0.66 HPGD (0.56) KCNA5MALT1GAAHPGDMAPT
SCHEMBL14691000 0.66 KCNA5 (0.46) NQO2KCNA5CXCR2MALT1HPGD
SCHEMBL2299797 0.65 CXCR2 (0.42) NQO2KCNA5CXCR2MALT1BCHE
SCHEMBL14690580 0.65 CRBN (0.51) KCNA5CXCR2MALT1HPGDPOLB
SCHEMBL9743749 0.65 KCNA5 (0.56) NQO2KCNA5CXCR2MALT1LMNA

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
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed