SCHEMBL7835993

SCHEMBL7835993

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
ACP1 P24666 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 4/20 0.38
TLR7 Q9NYK1 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM1A O60341 1/20 0.37
TOP2B Q02880 1/20 0.36
CHRM2 P08172 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
SCHEMBL842730 0.89 TLR7 (0.42) EGFRACP1ALDH1A1HPGDMAPT
SCHEMBL7835249 0.83 EGFR (0.45) EGFRMAPTKMT2AMEN1MAPK1
SCHEMBL8870696 0.79 EGFR (0.47) EGFRACP1ALDH1A1HPGDMAPT
SCHEMBL7832227 0.79 EGFR (0.43) EGFRACP1ALDH1A1HPGDMAPT
SCHEMBL7835397 0.79 EGFR (0.43) EGFRACP1ALDH1A1HPGDMAPT
SCHEMBL7824280 0.78 POLB (0.38) EGFRALDH1A1MAPTLMNAKMT2A
SCHEMBL7823369 0.73 EGFR (0.44) EGFRMAPTKMT2AMEN1MAPK1
SCHEMBL28560298 0.70 ALDH1A1 (0.45) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL8114585 0.70 ATM (0.47) EGFRALDH1A1MAPTKMT2AMEN1
SCHEMBL4726732 0.69 MAPT (0.45) ACP1ALDH1A1HPGDMAPTTLR7

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 4 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 disclosed
EP-0681570-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-11-15 EP disclosed
US-5395937-A Process for preparing quinoline amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-07 US disclosed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO disclosed