SCHEMBL8206882

SCHEMBL8206882

CCN(CC)c1ccc(N=Nc2ccc(Br)cn2)c(O)c1.[U]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.46
RIOK2 Q9BVS4 1/20 0.41
GBA1 P04062 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL272970 0.99 KCNH2 (0.47) KCNH2RIOK2GBA1ALDH1A1KDM4E
SCHEMBL29397420 0.99 KCNH2 (0.47) KCNH2RIOK2GBA1ALDH1A1KDM4E
SCHEMBL29397508 0.99 KCNH2 (0.47) KCNH2RIOK2GBA1ALDH1A1KDM4E
SCHEMBL272969 0.99 KCNH2 (0.47) KCNH2RIOK2GBA1ALDH1A1KDM4E
Bromide SCHEMBL30705401 0.98 KCNH2 (0.48) KCNH2RIOK2GBA1ALDH1A1KDM4E
SCHEMBL28025013 0.88 KCNH2 (0.44) KCNH2RIOK2ALDH1A1KDM4EMAPK1
SCHEMBL4343598 0.85 KCNH2 (0.64) KCNH2RIOK2ALDH1A1NPC1SMN1; SMN2
SCHEMBL4343601 0.85 KCNH2 (0.64) KCNH2RIOK2ALDH1A1NPC1SMN1; SMN2
SCHEMBL8654656 0.84 KCNH2 (0.47) KCNH2RIOK2ALDH1A1KDM4EMAPK1
SCHEMBL8654659 0.84 KCNH2 (0.47) KCNH2RIOK2ALDH1A1KDM4EMAPK1

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
US-6107098-A MIXTURE OF SODIUM CITRATE AND ETHYLENEDIAMINETETRAACETIC ACID AS METAL MASKING AGENTS, ALKALINE BUFFER, SOLUBILIZING AGENT, AND 2-(5-BROMO-S-PYRIDYLAZO)-5-DIETHYLAMINOPHENOL DYE WHICH COMPLEXES WITH URANIUM; RAPID, ACCURATE TEST FOR BATTLEFIELDS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2000-08-22 US disclosed