SCHEMBL14745124

SCHEMBL14745124

CCc1c(O)cc(=O)[nH]c1-c1cc2cc(F)c(C)cc2n1C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
CASR P41180 1/20 0.30

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
SCHEMBL14746854 0.83 KDM4E (0.41) DAOKDM4EALDH1A1
SCHEMBL14744741 0.80 GRIN2D (0.30) DAO
SCHEMBL14745614 0.79 DAO (0.39) DAOKDM4EALDH1A1
SCHEMBL14745385 0.79 DAO (0.41) DAOKDM4EALDH1A1
SCHEMBL14746133 0.77 GPR84 (0.39) DAOKDM4E
SCHEMBL14746849 0.77 GPR84 (0.39) DAOKDM4EALDH1A1
SCHEMBL16428129 0.76 CA2 (0.43) ALDH1A1
SCHEMBL14746103 0.75 DAO (0.35) DAOKDM4EALDH1A1CACNA1BAPBA1
SCHEMBL16428798 0.70 MEN1 (0.38) KDM4EALDH1A1
SCHEMBL16567889 0.67 CYP1A2 (0.36) KDM4EALDH1A1

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-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed