SCHEMBL14745700

SCHEMBL14745700

CCc1c(-c2ccc(OC)cc2C)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(OC)cc1F.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccccc1N1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNKS2 Q9H2K2 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PRKAB2 O43741 1/20 0.32
PRKAG1 P54619 1/20 0.32
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAG3 Q9UGI9 1/20 0.32
PRKAG2 Q9UGJ0 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CG P48736 1/20 0.32
LMNA P02545 2/20 0.32
ABCC8 Q09428 2/20 0.32
GAA P10253 3/20 0.32
SLC22A1 O15245 1/20 0.31

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
SCHEMBL17594964 0.86 ALDH1A1 (0.35) ALDH1A1L3MBTL1TNKS2MEN1KMT2A
SCHEMBL14746159 0.85 MRGPRX4 (0.36) ALDH1A1L3MBTL1KMT2AGAADCTPP1
SCHEMBL14745703 0.85
SCHEMBL14745651 0.80 GAA (0.38) ALDH1A1MEN1KMT2AGAADCTPP1
SCHEMBL14745626 0.79 ALDH1A1 (0.41) ALDH1A1L3MBTL1TNKS2MEN1KMT2A
SCHEMBL14747045 0.79 KMT2A (0.40) ALDH1A1L3MBTL1TNKS2MEN1KMT2A
SCHEMBL14741115 0.78 KDM5A (0.40) ALDH1A1MEN1KMT2APRKAB2PRKAG1
SCHEMBL14745179 0.78 POLB (0.42) ALDH1A1L3MBTL1LMNAABCC8GAA
SCHEMBL14745493 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL14746137 0.77 ALDH1A1 (0.46) ALDH1A1L3MBTL1MEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed