SCHEMBL5488197

SCHEMBL5488197

Nc1ccnc(Cl)c1.Nc1ccnc(Cl)c1.O=[N+]([O-])Nc1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.42
SMARCA4 P51532 8/20 0.42
GRM4 Q14833 1/20 0.36
LOX P28300 1/20 0.35
LOXL3 P58215 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
ROCK1 Q13464 2/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4309817 1.00 SMARCA2 (0.42) SMARCA2SMARCA4GRM4LOXLOXL3
SCHEMBL3736841 0.90 SMARCA2 (0.49) SMARCA2SMARCA4GRM4LOXLOXL3
SCHEMBL40039 0.77
SCHEMBL29452955 0.77
SCHEMBL1569277 0.75 PIN1 (0.39) GRM4ROCK1
Fluoromethane SCHEMBL28852278 0.72 LOX (0.47) SMARCA2SMARCA4LOXLOXL3LOXL2
SCHEMBL8061244 0.71 ALDH1A1 (0.52) CA2
Formic Acid SCHEMBL28035547 0.71 RECQL (0.42) SMARCA2SMARCA4LOXLOXL3LOXL2
SCHEMBL562935 0.70 S1PR2 (0.47) SMARCA2SMARCA4CHRNB2CHRNA4
SCHEMBL45336 0.69 ALDH1A1 (0.50) CA2

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-2007047793-A2 CYCLOPENTENOL NUCLEOSIDE COMPOUNDS, INTERMEDIATES FOR THEIR SYNTHESIS AND METHODS OF TREATING VIRAL INFECTIONS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2007-04-26 WO disclosed