SCHEMBL8074847

SCHEMBL8074847

CCOC(=O)c1c2c3c(cccc3n1C)C(OC)CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 3/20 0.38
POLB P06746 2/20 0.37
PABPC1 P11940 1/20 0.37
ALOX5 P09917 1/20 0.37
ATM Q13315 1/20 0.37
DHODH Q02127 1/20 0.36
MAPK1 P28482 2/20 0.35
GAA P10253 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
UBE2N P61088 1/20 0.35
MAPT P10636 2/20 0.35
ELANE P08246 1/20 0.35
HTT P42858 1/20 0.35
CHRM2 P08172 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
SCHEMBL8069891 0.94 MEN1 (0.41) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL8069946 0.87 KMT2A (0.41) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL8070452 0.82 KMT2A (0.40) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL8068418 0.78 MEN1 (0.41) KMT2AMEN1KDM4EPOLBPABPC1
SCHEMBL8074878 0.78 KMT2A (0.41) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL8069930 0.76 MEN1 (0.47) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL8059301 0.75 CA1 (0.33) KDM4ETSHRALDH1A1
SCHEMBL8074803 0.75 MEN1 (0.43) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL8070221 0.73 MEN1 (0.48) KMT2AMEN1KDM4ETSHRPOLB
SCHEMBL12086792 0.66 ADRA2A (0.41)

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-0803501-B1 Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors SUMITOMO PHARMA (JP) 2000-07-05 EP disclosed
EP-0803501-A1 Substituted guanidine derivatives and their use as Na+/H+ exchange inhibitors SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-10-29 EP disclosed