SCHEMBL7835397

SCHEMBL7835397

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 5/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ACP1 P24666 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL7832227 1.00 EGFR (0.43) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL7822913 0.83 EGFR (0.44) EGFRALDH1A1MAPTKDM4ECYP1A2
SCHEMBL8870696 0.80 EGFR (0.47) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL7835993 0.79 EGFR (0.44) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL842730 0.77 TLR7 (0.42) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL28560298 0.74 ALDH1A1 (0.45) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL6106132 0.72 EGFR (0.43) EGFRALDH1A1HPGDMAPTLMNA
SCHEMBL4726732 0.70 MAPT (0.45) ALDH1A1HPGDMAPTKDM4EACP1
SCHEMBL7840427 0.66 LMNA (0.43) ALDH1A1HPGDMAPTLMNACYP1A2
Hydrochloric Acid SCHEMBL11553556 0.65 CHRM2 (0.64) EGFRALDH1A1MAPTLMNAKDM4E

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 5 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
US-5395937-A Process for preparing quinoline amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-07 US claimed
WO-1994017043-A1 PROCESS FOR PREPARING QUINOLINE AMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-04 WO claimed
US-5395937-A Process for preparing quinoline amines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-07 US disclosed