SCHEMBL7835249

SCHEMBL7835249

CC(C)(O)CNc1c([N+](=O)[O-])c(OS(C)(=O)=O)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
BCHE P06276 6/20 0.38
ACHE P22303 6/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 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
TOP2B Q02880 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 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
SCHEMBL7823369 0.90 EGFR (0.44) EGFRBCHEACHEMEN1KMT2A
SCHEMBL7835993 0.83 EGFR (0.44) EGFRMEN1KMT2AMAPTMAPK1
SCHEMBL14079299 0.81 EGFR (0.48) EGFRBCHEACHEMEN1KMT2A
SCHEMBL7822913 0.81 EGFR (0.44) EGFRBCHEACHEMEN1KMT2A
SCHEMBL14423952 0.80 EGFR (0.47) EGFRMEN1KMT2AMAPTMAPK1
SCHEMBL3170951 0.80 EGFR (0.47) EGFRBCHEACHEMEN1KMT2A
SCHEMBL7824280 0.76 POLB (0.38) EGFRMEN1KMT2AMAPTMAPK1
SCHEMBL12245270 0.75 EGFR (0.45) EGFRMEN1KMT2AMAPTMAPK1
SCHEMBL842730 0.74 TLR7 (0.42) EGFRMEN1KMT2AMAPTMAPK1
SCHEMBL13525404 0.74 EGFR (0.83) EGFRMEN1KMT2AMAPTMAPK1

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 3 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