SCHEMBL7822913

SCHEMBL7822913

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.44
BCHE P06276 7/20 0.39
ACHE P22303 7/20 0.39
KDM4E B2RXH2 3/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
MAOA P21397 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADORA2A P29274 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7835397 0.83 EGFR (0.43) EGFRBCHEACHEKDM4ECHRM2
SCHEMBL7832227 0.83 EGFR (0.43) EGFRBCHEACHEKDM4ECHRM2
SCHEMBL14079299 0.83 EGFR (0.48) EGFRBCHEACHEKDM4ECHRM2
SCHEMBL14423952 0.82 EGFR (0.47) EGFRKDM4ECHRM2CHRM1DRD2
SCHEMBL3170951 0.82 EGFR (0.47) EGFRBCHEACHEKDM4ECHRM2
SCHEMBL7835249 0.81 EGFR (0.45) EGFRBCHEACHEKDM4ECHRM2
SCHEMBL7823369 0.79 EGFR (0.44) EGFRBCHEACHEKDM4ECHRM2
SCHEMBL12245270 0.79 EGFR (0.45) EGFRKDM4ECHRM2CHRM1DRD2
SCHEMBL3167025 0.74 EGFR (0.57) EGFRKDM4EKMT2ASMN1; SMN2GAA
SCHEMBL13525404 0.74 EGFR (0.83) EGFRKDM4EKMT2ASMN1; SMN2GAA

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 2 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
US-5395937-A Process for preparing quinoline amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-07 US claimed