SCHEMBL6567448

SCHEMBL6567448

COc1cc2ccccc2nc1OC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.53
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
RAB9A P51151 3/20 0.45
CNR2 P34972 1/20 0.44
NPC1 O15118 2/20 0.43
NQO2 P16083 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL8127607 0.89 ALDH1A1 (0.43) TLR8ALDH1A1KDM4EHPGDALOX15
SCHEMBL11167917 0.88 TLR8 (0.49) TLR8ALDH1A1KDM4EHPGDALOX15
SCHEMBL6565258 0.86 TLR8 (0.51) TLR8ALDH1A1KDM4EHPGDALOX15
SCHEMBL8968152 0.82 TLR8 (0.48) TLR8ALDH1A1KDM4EHPGDALOX15
SCHEMBL180365 0.81 TLR8 (0.65) TLR8ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8785457 0.81 KDM4C (0.45) TLR8ALDH1A1KDM4EHPGDALOX15
Hydrochloric Acid SCHEMBL27511729 0.80 TLR8 (0.62) TLR8ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6566120 0.80 HTT (0.59) ALDH1A1KDM4ESMN1; SMN2MAPTCNR2
SCHEMBL6564086 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL8784892 0.78 TLR8 (0.43) TLR8ALDH1A1KDM4EHPGDALOX15

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 6 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
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
EP-0650960-B1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0650961-B1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AG (DE) 1997-03-05 EP disclosed
EP-0650961-A1 Substituted heterocyclic carboxylic acid amides, their preparation, and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed
EP-0650960-A1 Substituted heterocyclic carboxylic acid amide esters, their preparation and their us as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1995-05-03 EP disclosed