SCHEMBL17597752

SCHEMBL17597752

CCc1c(-c2ccc3cc4n(c3c2)CC(N)C4)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL14744990 0.99 PRKCE (0.30) KCNH2ALDH1A1
SCHEMBL14757668 0.93
Hydrochloric Acid SCHEMBL14744988 0.92
SCHEMBL17597928 0.88
SCHEMBL17597585 0.88
SCHEMBL17597702 0.88 KCNH2 (0.36) KCNH2
Hydrochloric Acid SCHEMBL14745579 0.87
Hydrochloric Acid SCHEMBL14745472 0.87 KCNH2 (0.36) KCNH2
Hydrochloric Acid SCHEMBL14745801 0.87
SCHEMBL14745393 0.86 KCNH2 (0.32) KCNH2

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
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed