SCHEMBL6567226

SCHEMBL6567226

COc1cccc(Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
POLB P06746 1/20 0.62
AKR1C3 P42330 6/20 0.57
AKR1C2 P52895 6/20 0.57
AKR1B10 O60218 2/20 0.57
AKR1B1 P15121 2/20 0.57
AKR1C4 P17516 2/20 0.57
AKR1C1 Q04828 2/20 0.57
MAPT P10636 3/20 0.52
HPGD P15428 1/20 0.52
PIN1 Q13526 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
TTR P02766 1/20 0.50
PPOX P50336 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.49
FBP1 P09467 3/20 0.48
DTYMK P23919 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL30580504 0.90 AKR1C3 (0.63) KDM4EAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL269614 0.90 AKR1C3 (0.63) KDM4EAKR1C3AKR1C2AKR1B10AKR1B1
SCHEMBL3889423 0.87 MEN1 (0.55) KDM4EPOLBAKR1C3AKR1C2AKR1B10
SCHEMBL1075103 0.85 MEN1 (0.51) KDM4EPOLBAKR1C3AKR1C2AKR1B10
SCHEMBL1028818 0.85 KDM4E (0.54) KDM4EPOLBAKR1C3AKR1C2AKR1B10
SCHEMBL8630071 0.84 PIN1 (0.46) KDM4EPOLBAKR1C3AKR1C2AKR1B10
SCHEMBL3892796 0.81 TDP1 (0.50) KDM4EPOLBAKR1C3AKR1C2AKR1B10
SCHEMBL6565205 0.81 MTNR1B (0.45) KDM4EPOLBAKR1C3AKR1C2AKR1B10
SCHEMBL6567283 0.81 MEN1 (0.68) KDM4EAKR1C3AKR1C2AKR1B1AKR1C4
SCHEMBL10976077 0.80 MEN1 (0.61) KDM4EPOLBAKR1C3AKR1C2MAPT

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