SCHEMBL6236827

SCHEMBL6236827

O=C1c2ccccc2C(O)N1Cc1ccccc1.O=C1c2ccccc2C(O)N1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
LMNA P02545 1/20 0.68
ALDH1A1 P00352 4/20 0.62
PKM P14618 1/20 0.62
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
MDM2 Q00987 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 1/20 0.49
HSD17B10 Q99714 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
SCHEMBL1619264 1.00 HPGD (0.68) HPGDLMNAALDH1A1PKMMEN1
SCHEMBL29760295 1.00 HPGD (0.68) HPGDLMNAALDH1A1PKMMEN1
SCHEMBL21771179 0.88 HPGD (0.62) HPGDLMNAALDH1A1PKMMEN1
SCHEMBL2644150 0.84 KDM4E (0.66) HPGDLMNAALDH1A1PKMMEN1
SCHEMBL22036370 0.84 HPGD (0.59) HPGDLMNAALDH1A1PKMMEN1
SCHEMBL19828935 0.84 HPGD (0.58) HPGDLMNAALDH1A1PKMMEN1
SCHEMBL30296389 0.84 KDM4E (0.66) HPGDLMNAALDH1A1PKMMEN1
SCHEMBL28326301 0.84 L3MBTL1 (0.58) HPGDLMNAALDH1A1PKMMEN1
SCHEMBL18828359 0.80 HPGD (0.56) HPGDLMNAALDH1A1PKMMEN1
SCHEMBL9188836 0.80 L3MBTL1 (0.61) HPGDLMNAALDH1A1PKMMEN1

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