SCHEMBL14959615

SCHEMBL14959615

CC(C)c1nc2cc(N)c(N)cc2nc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLP1R P43220 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
TERT O14746 1/20 0.32
NQO1 P15559 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL10348834 0.78 MAPT (0.52) MEN1NPC1USP2POLBMAPT
Hydrochloric Acid SCHEMBL9797561 0.75 MAPT (0.50) MEN1NPC1USP2POLBMAPT
SCHEMBL13058525 0.75 MAPT (0.42) MEN1NPC1MAPTKMT2AALDH1A1
SCHEMBL6108326 0.68 TERT (0.56) MEN1NPC1USP2POLBMAPT
SCHEMBL29428970 0.67 KMT2A (0.72) MEN1NPC1USP2POLBMAPT
SCHEMBL837057 0.67 KMT2A (0.72) MEN1NPC1USP2POLBMAPT
SCHEMBL9832575 0.64
Hydrochloric Acid SCHEMBL31429077 0.64 KMT2A (0.68) MEN1NPC1USP2POLBMAPT
Hydrochloric Acid SCHEMBL31429084 0.64 KMT2A (0.68) MEN1NPC1USP2POLBMAPT
SCHEMBL13156612 0.64 KMT2A (0.68) MEN1NPC1USP2POLBMAPT

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-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed