SCHEMBL12635720

SCHEMBL12635720

Cn1c(COC(=O)c2nc(Cl)c(N)nc2N)[n+](C)c2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
LMNA P02545 2/20 0.32
PDGFRA P16234 1/20 0.32
CDK5 Q00535 1/20 0.32
TYRO3 Q06418 1/20 0.32
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
ELANE P08246 1/20 0.31
SCNN1A P37088 5/20 0.30
CYP1A2 P05177 2/20 0.30
CYP2D6 P10635 2/20 0.30
TSHR P16473 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
THPO P40225 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SLC22A1 O15245 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
Iodide SCHEMBL2016304 0.99 GABRA2 (0.32) GABRA2GABRB2LMNAPDGFRACDK5
SCHEMBL12635733 0.90 MAPT (0.36) GABRA2GABRB2LMNAALDH1A1GLA
Iodide SCHEMBL2021198 0.89 MAPT (0.36) GABRA2GABRB2LMNAALDH1A1GLA
SCHEMBL12636299 0.89 ALDH1A1 (0.33) GABRA2GABRB2LMNAPDGFRACDK5
Iodide SCHEMBL2017463 0.88 KDM4E (0.33) GABRA2GABRB2LMNARECQLKMT2A
Iodide SCHEMBL2014821 0.88 KDM4E (0.33) GABRA2GABRB2LMNAPDGFRACDK5
Iodide SCHEMBL2016658 0.87 SCNN1A (0.38) GABRA2GABRB2LMNAKMT2ASCNN1A
SCHEMBL12635715 0.86 LMNA (0.44) GABRA2GABRB2LMNARECQLKMT2A
Iodide SCHEMBL2016067 0.85 TDP1 (0.34) GABRA2LMNAELANESCNN1AKDM4E
Iodide SCHEMBL2016509 0.84 SCNN1A (0.39) GABRA2GABRB2LMNAKMT2ASCNN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011079087-A1 ENAC BLOCKERS GLAXO GROUP LIMITED (GB) 2011-06-30 WO disclosed