SCHEMBL14741122

SCHEMBL14741122

CCc1c(-c2ccc(N3C[C@@H](CN(Cc4ccccc4)Cc4ccccc4)[C@@H](C)C3)cc2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
RORC P51449 5/20 0.34
APLNR P35414 5/20 0.33
KIF11 P52732 2/20 0.33
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MCHR1 Q99705 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
SCHEMBL14745556 1.00 KCNH2 (0.38) KCNH2RORCAPLNRKIF11GAA
SCHEMBL14758829 1.00 KCNH2 (0.38) KCNH2RORCAPLNRKIF11GAA
SCHEMBL14745653 0.83 KCNH2 (0.38) KCNH2RORCAPLNRKIF11GAA
SCHEMBL14745649 0.83 KCNH2 (0.38) KCNH2RORCAPLNRKIF11GAA
SCHEMBL14745652 0.83 KCNH2 (0.38) KCNH2RORCAPLNRKIF11GAA
SCHEMBL14745189 0.81 KCNH2 (0.41) KCNH2APLNRKIF11ALDH1A1POLB
SCHEMBL14745901 0.81 KCNH2 (0.44) KCNH2RORCKIF11GAAKDM4E
SCHEMBL14741046 0.81 KCNH2 (0.43) KCNH2RORCAPLNRKIF11GAA
SCHEMBL14745632 0.79 KCNH2 (0.38) KCNH2KIF11GAAALDH1A1POLB
SCHEMBL17595011 0.78 KCNH2 (0.44) KCNH2APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US claimed
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 claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
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