SCHEMBL7832293

SCHEMBL7832293

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 9/20 0.41
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.39
KMT2A Q03164 3/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
MGMT P16455 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL7840427 0.89 LMNA (0.43) LMNAHPGDMAPTHTTALDH1A1
SCHEMBL7823333 0.86 ESR1 (0.38) MAPTL3MBTL1
Hydrochloric Acid SCHEMBL7834755 0.85 ESR1 (0.38) MAPT
SCHEMBL7823367 0.84 LMNA (0.41) LMNAHPGDMAPTHTTALDH1A1
Hydrochloric Acid SCHEMBL8122175 0.81 MAPT (0.42) LMNAHPGDMAPTHTTALDH1A1
SCHEMBL7843574 0.73 LMNA (0.42) LMNAHPGDMAPTHTTALDH1A1
SCHEMBL29121426 0.72 ATM (0.46) LMNAHPGDMAPTALDH1A1KMT2A
SCHEMBL29809123 0.72 ATM (0.46) LMNAHPGDMAPTALDH1A1KMT2A
SCHEMBL7832002 0.70 TLR7 (0.33)
SCHEMBL8562265 0.69 MAPT (0.48) LMNAHPGDMAPTHTTALDH1A1

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