SCHEMBL6233047

SCHEMBL6233047

CCN1C(=O)c2ccccc2C1O.CCN1C(=O)c2ccccc2C1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.59
LMNA P02545 1/20 0.59
ALDH1A1 P00352 3/20 0.57
PKM P14618 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ATM Q13315 1/20 0.51
RAB9A P51151 5/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
FFAR1 O14842 1/20 0.48
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
STAT3 P40763 1/20 0.46
STAT1 P42224 1/20 0.46

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
SCHEMBL4465439 1.00 HPGD (0.59) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL12939885 0.86 KDM4E (0.61) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL6231346 0.86 KDM4E (0.61) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL4464212 0.86 KDM4E (0.61) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL12939880 0.83 L3MBTL1 (0.58) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL27960801 0.83 L3MBTL1 (0.58) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL19976649 0.82 L3MBTL1 (0.57) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL6234847 0.81 HPGD (0.55) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL4468989 0.81 HPGD (0.55) HPGDLMNAALDH1A1PKML3MBTL1
SCHEMBL7632891 0.81 L3MBTL1 (0.56) HPGDLMNAALDH1A1PKML3MBTL1

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