SCHEMBL8629258

SCHEMBL8629258

CCCCCCCCOc1ccc([N+](=O)[O-])c(C(=O)C(C(C)=O)C(C)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 2/20 0.51
MAPT P10636 4/20 0.47
PTPN11 Q06124 4/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ESR1 P03372 1/20 0.44
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
HPD P32754 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8630905 0.96 MAPT (0.50) PLA2G4BMAPTLMNAMAPK1KMT2A
SCHEMBL8699678 0.87 MAPT (0.43) PLA2G4BMAPTLMNAMAPK1KMT2A
SCHEMBL8628560 0.84 PTPN11 (0.60) PLA2G4BMAPTPTPN11TP53TSHR
SCHEMBL6564098 0.80 AKR1C3 (0.47) MAPTLMNAMAPK1SMN1; SMN2HPD
SCHEMBL8381314 0.80 MAPT (0.56) PLA2G4BMAPTPTPN11LMNAMAPK1
SCHEMBL6564057 0.80 PLA2G4B (0.49) PLA2G4BMAPTPTPN11THRATHRB
SCHEMBL6565647 0.79 MAPT (0.55) PLA2G4BMAPTPTPN11LMNAMAPK1
SCHEMBL10681005 0.79 MAPT (0.58) PLA2G4BMAPTLMNAMAPK1KMT2A
SCHEMBL4255397 0.78 TDP1 (0.55) PLA2G4BMAPTLMNAMAPK1KMT2A
SCHEMBL27719937 0.77 MAPT (0.56) PLA2G4BMAPTESR1LMNAMAPK1

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
CN-1120157-C Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof FIBER GENE CORP (US) 2003-09-03 CN disclosed
CN-1282737-A Intermediate product used for preparing substituted quinoline-2-formamide MOECHST AG (DE) 2001-02-07 CN disclosed
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN disclosed