SCHEMBL13664138

SCHEMBL13664138

CC(C)/C=N\Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.52
MAPT P10636 9/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
GAA P10253 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
RAB9A P51151 4/20 0.44
LMNA P02545 3/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
SENP7 Q9BQF6 2/20 0.39
GPR39 O43194 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL2483052 1.00 NOX1 (0.52) NOX1MAPTMEN1KMT2AGAA
SCHEMBL2483049 1.00 NOX1 (0.52) NOX1MAPTMEN1KMT2AGAA
SCHEMBL3278077 0.83 NOX1 (0.48) NOX1MAPTMEN1KMT2AGAA
SCHEMBL11714851 0.82 MAPT (0.50) NOX1MAPTMEN1KMT2AGAA
SCHEMBL11673957 0.81 NPC1 (0.47) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL11673952 0.81 NPC1 (0.47) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL11674569 0.80 NPC1 (0.55) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL13664139 0.80 NOX1 (0.46) NOX1MAPTMEN1KMT2AGAA
SCHEMBL11674567 0.80 NPC1 (0.55) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL11213002 0.77 NOX1 (0.43) NOX1MAPTMEN1KMT2AGAA

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-20090263906-A1 METHOD OF ANTIOXIDATIVE FUNCTIONAL ESTIMATION USING ANIMAL MODEL KOREA ATOMIC ENERGY RESEARCH INSTITUTE (KR) 2009-10-22 US disclosed