SCHEMBL29508380

SCHEMBL29508380

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 6/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
LRRK2 Q5S007 1/20 0.43
POLB P06746 1/20 0.42
HCAR3 P49019 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ABCG2 Q9UNQ0 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL22749290 1.00 MEN1 (0.44) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL22749289 1.00 MEN1 (0.44) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL10448992 0.90 MAPT (0.42) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL31411153 0.89 LRRK2 (0.55) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL29508391 0.87 MEN1 (0.42) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL10589261 0.84 GALR3 (0.49) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL1774882 0.84 MAPT (0.42) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL9386488 0.83 MAPT (0.43) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL2086455 0.83 MAPT (0.43) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL9388712 0.83 MAPT (0.41) MEN1KMT2AMAPTMAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980415-A1 N-1 BRANCHED ALKYL SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE COMPOUNDS, COMPOSITIONS, AND METHODS 3M Innovative Properties Company (US) 2022-04-13 EP disclosed