SCHEMBL8068449

SCHEMBL8068449

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
ALOX5 P09917 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 5/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR1D1 P20393 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 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
SCHEMBL8074878 0.84 KMT2A (0.41) KDM4ELMNAALOX5MEN1KMT2A
SCHEMBL8068418 0.82 MEN1 (0.41) KDM4ELMNAALOX5MEN1KMT2A
SCHEMBL8059452 0.79 TSHR (0.47) ATMKDM4ELMNAMEN1KMT2A
SCHEMBL8069839 0.71
SCHEMBL7276418 0.70 TSHR (0.56) ATMKDM4ELMNAMEN1KMT2A
SCHEMBL8069930 0.70 MEN1 (0.47) KDM4ELMNAALOX5MEN1KMT2A
SCHEMBL8068336 0.68 BRD4 (0.49) KDM4EMEN1KMT2ARAB9ANPC1
SCHEMBL31383558 0.68 KDM4E (0.46) ATMKDM4ELMNAMAPTGAA
SCHEMBL8070434 0.65 L3MBTL1 (0.42) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL8074847 0.65 KMT2A (0.42) ATMKDM4EALOX5MEN1KMT2A

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