SCHEMBL10448992

SCHEMBL10448992

CC(O)C(C)Nc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
LRRK2 Q5S007 1/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22749290 0.90 MEN1 (0.44) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL22749289 0.90 MEN1 (0.44) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL29508380 0.90 MEN1 (0.44) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL31411153 0.87 LRRK2 (0.55) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL21995467 0.84 MAPT (0.38) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL21995466 0.84 MAPT (0.38) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL2086455 0.84 MAPT (0.43) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL9386488 0.84 MAPT (0.43) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL9388712 0.84 MAPT (0.41) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL28684165 0.82 MAPT (0.40) MAPTMEN1KMT2AMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1914203-A Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES CO (US) 2007-02-14 CN disclosed
EP-0389302-A1 Olefinic 1H-imidazo [4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1990-09-26 EP disclosed