SCHEMBL7843574

SCHEMBL7843574

CC(C)(O)CNc1c([N+](=O)[O-])c(N)nc2cccc(Cc3ccccc3)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 8/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 3/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
BLM P54132 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.36
MGMT P16455 1/20 0.36
CYP1A2 P05177 1/20 0.36
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
TLR8 Q9NR97 1/20 0.35
CDK5 Q00535 1/20 0.35

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
SCHEMBL7823367 0.89 LMNA (0.41) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL7832974 0.84 TLR8 (0.39) TLR8
SCHEMBL7840427 0.84 LMNA (0.43) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL14423952 0.82 EGFR (0.47) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL7832002 0.75 TLR7 (0.33) TLR8
SCHEMBL7832293 0.73 LMNA (0.43) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL30779217 0.72 MAPT (0.44) HPGDMAPTALDH1A1MAPK1KMT2A
SCHEMBL28802689 0.72 MAPT (0.44) HPGDMAPTALDH1A1MAPK1KMT2A
SCHEMBL12245270 0.71 EGFR (0.45) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL3961169 0.70 DHFR (0.38) LMNAHPGDSMN1; SMN2MAPTHTT

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-0681570-B1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2001-03-14 EP claimed