SCHEMBL6672872

SCHEMBL6672872

Cc1c(N2CC3CCC(O)C(O)C3C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.36
SCN5A Q14524 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7093694 0.85 KCNH2 (0.39) KCNH2SCN5A
SCHEMBL7097223 0.84 KCNH2 (0.37) KCNH2SCN5AKDM4EMEN1ALDH1A1
SCHEMBL7094265 0.84 KCNH2 (0.38) KCNH2SCN5AKDM4EMEN1ALDH1A1
SCHEMBL6670336 0.83
Hydrochloric Acid SCHEMBL6670759 0.82 KCNH2 (0.37) KCNH2SCN5AKDM4EMEN1ALDH1A1
SCHEMBL6671956 0.81 KCNH2 (0.44) KCNH2SCN5A
SCHEMBL7093428 0.81 KCNH2 (0.40) KCNH2SCN5A
SCHEMBL6670468 0.81
SCHEMBL6704929 0.80 CACNA1F (0.34) KCNH2
SCHEMBL6671615 0.80 KCNH2 (0.38) KCNH2SCN5AKDM4EMEN1ALDH1A1

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-1401830-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS Warner-Lambert Company LLC (US) 2004-03-31 EP claimed
WO-2002102793-A2 QUINAZOLINEDIONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2002-12-27 WO claimed