SCHEMBL7823367

SCHEMBL7823367

CC(C)(O)CNc1c([N+](=O)[O-])c(N)nc2ccc(Cc3ccccc3)c(Cc3ccccc3)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 11/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 3/20 0.37
KMT2A Q03164 1/20 0.37
MGMT P16455 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
BLM P54132 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL7843574 0.89 LMNA (0.42) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL7832002 0.87 TLR7 (0.33)
SCHEMBL7832293 0.84 LMNA (0.43) LMNAHPGDSMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL8122175 0.79 MAPT (0.42) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL14423952 0.79 EGFR (0.47) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL7832974 0.75 TLR8 (0.39)
SCHEMBL7840427 0.73 LMNA (0.43) LMNAHPGDSMN1; SMN2MAPTHTT
SCHEMBL29809123 0.72 ATM (0.46) LMNAHPGDMAPTALDH1A1KMT2A
SCHEMBL29121426 0.72 ATM (0.46) LMNAHPGDMAPTALDH1A1KMT2A
SCHEMBL7823333 0.70 ESR1 (0.38) MAPTL3MBTL1GAA

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 6 patents. 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
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP claimed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO claimed
EP-0681570-B1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING & MFG (US) 2001-03-14 EP disclosed
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP disclosed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO disclosed