SCHEMBL6231346

SCHEMBL6231346

CCCN1C(=O)c2ccccc2C1O.CCCN1C(=O)c2ccccc2C1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.61
ALOX15 P16050 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HPGD P15428 2/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 4/20 0.55
PKM P14618 1/20 0.55
KMT2A Q03164 2/20 0.54
FFAR1 O14842 4/20 0.50
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL4464212 1.00 KDM4E (0.61) KDM4EPOLBALOX15L3MBTL1HPGD
SCHEMBL12939885 1.00 KDM4E (0.61) KDM4EPOLBALOX15L3MBTL1HPGD
SCHEMBL12939880 0.90 L3MBTL1 (0.58) KDM4EPOLBALOX15L3MBTL1HPGD
SCHEMBL27960801 0.90 L3MBTL1 (0.58) KDM4EPOLBALOX15L3MBTL1HPGD
SCHEMBL19976649 0.89 L3MBTL1 (0.57) KDM4EPOLBALOX15L3MBTL1HPGD
SCHEMBL7632891 0.88 L3MBTL1 (0.56) KDM4EPOLBALOX15L3MBTL1HPGD
SCHEMBL6233047 0.86 HPGD (0.59) KDM4EPOLBALOX15L3MBTL1HPGD
SCHEMBL4465439 0.86 HPGD (0.59) KDM4EPOLBALOX15L3MBTL1HPGD
SCHEMBL20924684 0.85 L3MBTL1 (0.62) KDM4EPOLBALOX15L3MBTL1HPGD
SCHEMBL9184161 0.83 L3MBTL1 (0.61) KDM4EPOLBALOX15L3MBTL1HPGD

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-1528923-A1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
WO-2003101450-A1 N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 WO disclosed