SCHEMBL8069930

SCHEMBL8069930

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 2/20 0.47
PABPC1 P11940 1/20 0.47
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.40
KDM4E B2RXH2 8/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 2/20 0.39
ALOX5 P09917 1/20 0.39
ALOX15 P16050 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
GABRA1 P14867 1/20 0.38

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
SCHEMBL8070221 0.93 MEN1 (0.48) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL8074803 0.87 MEN1 (0.43) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL8074878 0.84 KMT2A (0.41) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL8068418 0.82 MEN1 (0.41) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL11632498 0.76 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL30236695 0.76 ALDH1A1 (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8074847 0.76 KMT2A (0.42) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL8070452 0.74 KMT2A (0.40) MEN1KMT2APOLBPABPC1ALDH1A1
SCHEMBL23496517 0.74 BRD4 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL8069891 0.73 MEN1 (0.41) MEN1KMT2APOLBPABPC1ALDH1A1

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