SCHEMBL8074803

SCHEMBL8074803

C=C1CCCc2c(C(=O)OCC)n(C)c3cccc1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
PABPC1 P11940 1/20 0.43
KDM4E B2RXH2 8/20 0.38
LMNA P02545 4/20 0.38
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
UBE2N P61088 1/20 0.37
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HIF1A Q16665 1/20 0.36
HPGD P15428 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
GABRA1 P14867 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
SCHEMBL8069930 0.87 MEN1 (0.47) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8074878 0.83 KMT2A (0.41) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8070221 0.82 MEN1 (0.48) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8068418 0.81 MEN1 (0.41) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8074847 0.75 KMT2A (0.42) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8070452 0.74 KMT2A (0.40) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8069891 0.72 MEN1 (0.41) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8073260 0.72 PARP1 (0.30)
SCHEMBL8068449 0.69 ATM (0.38) MEN1KMT2APOLBPABPC1KDM4E
SCHEMBL8059452 0.67 TSHR (0.47) MEN1KMT2APOLBKDM4ELMNA

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