SCHEMBL6566280

SCHEMBL6566280

CCCCOc1ccc([N+](=O)[O-])c(C(=O)CC(=O)CC(C)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 1/20 0.46
PLA2G4B P0C869 1/20 0.44
SIRT5 Q9NXA8 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 3/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40

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
SCHEMBL6564057 0.97 PLA2G4B (0.49) MAPTLMNAKMT2AMAPK1PLA2G4B
SCHEMBL8633004 0.91 MAPT (0.42) MAPTLMNAKMT2AMAPK1PLA2G4B
SCHEMBL6564101 0.85 SMN1; SMN2 (0.47) MAPTLMNAKMT2AMAPK1AKR1C3
SCHEMBL6566219 0.83 ALDH1A1 (0.41) MAPTLMNAKMT2AAKR1C3AKR1C2
SCHEMBL4255397 0.81 TDP1 (0.55) MAPTLMNAKMT2AMAPK1PLA2G4B
SCHEMBL6565266 0.81 SIRT6 (0.45) MAPTKMT2AMAPK1AKR1C3AKR1C2
SCHEMBL6564212 0.81 MEN1 (0.40) MAPTLMNAKMT2APOLBALDH1A1
SCHEMBL8381314 0.81 MAPT (0.56) MAPTLMNAKMT2AMAPK1PLA2G4B
SCHEMBL8627853 0.80 AR (0.40) KMT2AALDH1A1SMN1; SMN2TDP1CYP1A2
SCHEMBL6565647 0.80 MAPT (0.55) MAPTLMNAKMT2AMAPK1PLA2G4B

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-0765871-B1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors FIBROGEN INC (US) 2004-03-31 EP 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
EP-0765871-A1 Substituted Quinoline-2-carboxamides, their preparation and their use as prolyle-4-hydroxylase Inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-02 EP disclosed