SCHEMBL6565692

SCHEMBL6565692

CCCOc1ccc([N+](=O)[O-])c(CO)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
SIRT5 Q9NXA8 2/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPK1 P28482 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAF1 P04049 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RECQL P46063 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.42
TNF P01375 1/20 0.41
NOD1 Q9Y239 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
SCHEMBL8631234 0.94 MAPT (0.57) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL6567529 0.90 MAPT (0.53) MAPTLMNAALDH1A1KMT2AMAPK1
SCHEMBL23801874 0.90 MAPT (0.53) MAPTLMNAALDH1A1KMT2AMAPK1
SCHEMBL7717015 0.89 MAPT (0.51) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL1589463 0.89 MAPT (0.50) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL5005582 0.88 MAPT (0.63) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL16162779 0.85 MAPT (0.47) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL67179 0.84 MAPT (0.46) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL13284234 0.84 MAPT (0.49) MAPTLMNAALDH1A1NPC1RAB9A
SCHEMBL21642649 0.83 MAPT (0.46) MAPTLMNAALDH1A1KMT2AMEN1

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