SCHEMBL8074878

SCHEMBL8074878

CCOC(=O)c1c2c3c(cccc3n1C)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
KDM4E B2RXH2 7/20 0.40
LMNA P02545 4/20 0.40
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
UBE2N P61088 1/20 0.39
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 5/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NR1D1 P20393 1/20 0.38
GAA P10253 3/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 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
SCHEMBL8068418 0.97 MEN1 (0.41) KMT2AMEN1POLBPABPC1KDM4E
SCHEMBL8069930 0.84 MEN1 (0.47) KMT2AMEN1POLBPABPC1KDM4E
SCHEMBL8068449 0.84 ATM (0.38) KMT2AMEN1POLBPABPC1KDM4E
SCHEMBL8074803 0.83 MEN1 (0.43) KMT2AMEN1POLBPABPC1KDM4E
SCHEMBL8059452 0.82 TSHR (0.47) KMT2AMEN1POLBKDM4ELMNA
SCHEMBL8070221 0.79 MEN1 (0.48) KMT2AMEN1POLBPABPC1KDM4E
SCHEMBL8070434 0.79 L3MBTL1 (0.42) KMT2AMEN1POLBKDM4ELMNA
SCHEMBL8074847 0.78 KMT2A (0.42) KMT2AMEN1POLBPABPC1KDM4E
SCHEMBL8070452 0.77 KMT2A (0.40) KMT2AMEN1POLBPABPC1KDM4E
SCHEMBL8069891 0.75 MEN1 (0.41) KMT2AMEN1POLBPABPC1KDM4E

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