SCHEMBL8070221

SCHEMBL8070221

CCOC(=O)c1c2c3c(cccc3n1C)C(=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.48
PABPC1 P11940 1/20 0.48
ALDH1A1 P00352 6/20 0.47
GAA P10253 3/20 0.47
KDM4E B2RXH2 6/20 0.40
ALOX5 P09917 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
IDO1 P14902 1/20 0.37
MAPK1 P28482 1/20 0.37
HBB P68871 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 2/20 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
SCHEMBL8069930 0.93 MEN1 (0.47) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL8074803 0.82 MEN1 (0.43) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL8074878 0.79 KMT2A (0.41) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL8068418 0.79 MEN1 (0.41) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL8070452 0.76 KMT2A (0.40) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL11630902 0.74 ALDH1A1 (0.60) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL8069891 0.74 MEN1 (0.41) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL8074847 0.73 KMT2A (0.42) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL21633628 0.72 ALDH1A1 (0.42) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL8068409 0.72 ALDH1A1 (0.48) ALDH1A1GAAKDM4EMAPTHPGD

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