SCHEMBL8633004

SCHEMBL8633004

CCOCCCOc1ccc([N+](=O)[O-])c(C(=O)CC(=O)CC(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
PLA2G4B P0C869 1/20 0.39
POLB P06746 3/20 0.39
MAPK1 P28482 3/20 0.39
SIRT5 Q9NXA8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GALR2 O43603 1/20 0.37
MITF O75030 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HPGD P15428 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL6566280 0.91 MAPT (0.48) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6564057 0.88 PLA2G4B (0.49) MAPTLMNAKMT2APLA2G4BMAPK1
SCHEMBL8625655 0.83 MAPT (0.48) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6564101 0.81 SMN1; SMN2 (0.47) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL8699678 0.80 MAPT (0.43) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6566219 0.79 ALDH1A1 (0.41) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6564212 0.77 MEN1 (0.40) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL6565266 0.77 SIRT6 (0.45) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL8627853 0.77 AR (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL6565205 0.75 MTNR1B (0.45) MAPTALDH1A1POLBSMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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