SCHEMBL8068418

SCHEMBL8068418

CCOC(=O)c1c2c3c(cccc3n1C)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
POLB P06746 1/20 0.41
PABPC1 P11940 1/20 0.41
NR1D1 P20393 1/20 0.40
KDM4E B2RXH2 5/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 3/20 0.39
ALOX5 P09917 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
TNF P01375 2/20 0.38
NOD1 Q9Y239 2/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
TP53 P04637 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL8074878 0.97 KMT2A (0.41) MEN1KMT2APOLBPABPC1NR1D1
SCHEMBL8069930 0.82 MEN1 (0.47) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8068449 0.82 ATM (0.38) MEN1KMT2APOLBPABPC1NR1D1
SCHEMBL8070434 0.81 L3MBTL1 (0.42) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL8074803 0.81 MEN1 (0.43) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8059452 0.79 TSHR (0.47) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL8070221 0.79 MEN1 (0.48) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8074847 0.78 KMT2A (0.42) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8070452 0.77 KMT2A (0.40) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8069891 0.75 MEN1 (0.41) MEN1KMT2APOLBPABPC1KDM4E

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