SCHEMBL6565205

SCHEMBL6565205

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 5/20 0.45
MTNR1A P48039 4/20 0.45
AKR1C3 P42330 3/20 0.44
AKR1C2 P52895 3/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
AKR1C4 P17516 2/20 0.44
AKR1C1 Q04828 2/20 0.44
PIN1 Q13526 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.43
FBP1 P09467 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6564101 0.92 SMN1; SMN2 (0.47) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL6565266 0.90 SIRT6 (0.45) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL6564069 0.85 MEN1 (0.48) AKR1C3AKR1C2AKR1B1AKR1C4AKR1C1
SCHEMBL6567226 0.81 KDM4E (0.62) MTNR1BMTNR1AAKR1C3AKR1C2AKR1B10
SCHEMBL6566219 0.80 ALDH1A1 (0.41) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL8630071 0.78 PIN1 (0.46) MTNR1BMTNR1AAKR1C3AKR1C2AKR1B10
SCHEMBL6564212 0.78 MEN1 (0.40) POLBHPGDTDP1MAPTSMN1; SMN2
SCHEMBL6566280 0.78 MAPT (0.48) AKR1C3AKR1C2AKR1C1POLBTDP1
SCHEMBL6564057 0.76 PLA2G4B (0.49) MAPTSMN1; SMN2
SCHEMBL4273530 0.75 SMN1; SMN2 (0.52) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4

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