SCHEMBL8629304

SCHEMBL8629304

O=C(O)c1nc2ccc(Cl)cc2cc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 13/20 0.52
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MRGPRX4 Q96LA9 4/20 0.47
CYP2C9 P11712 1/20 0.46
STAT3 P40763 1/20 0.46

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
SCHEMBL8628854 0.90 HTT (0.49) PTGER1HTTSMN1; SMN2LMNAMAPT
SCHEMBL6567430 0.90 PTGER1 (0.52) PTGER1HTTSMN1; SMN2LMNAMAPT
SCHEMBL4703021 0.85 SMN1; SMN2 (0.62) HTTSMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL20067906 0.85 PTGER1 (0.49) PTGER1HTTSMN1; SMN2LMNAMAPT
SCHEMBL7746386 0.85 STAT3 (0.52) PTGER1HTTSMN1; SMN2MRGPRX4STAT3
SCHEMBL8625477 0.82 MCL1 (0.48) HTTSMN1; SMN2MRGPRX4CYP2C9STAT3
SCHEMBL7744003 0.82 HDAC8 (0.57) HTTSMN1; SMN2MAPTMRGPRX4STAT3
SCHEMBL8629707 0.81 MCL1 (0.51) HTTSMN1; SMN2LMNAL3MBTL1CYP2C9
SCHEMBL8628939 0.81 STAT3 (0.42) PTGER1HTTSMN1; SMN2STAT3
SCHEMBL8625960 0.80 HTT (0.49) PTGER1HTTSMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1120157-C Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof FIBER GENE CORP (US) 2003-09-03 CN disclosed
CN-1282737-A Intermediate product used for preparing substituted quinoline-2-formamide MOECHST AG (DE) 2001-02-07 CN 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
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN disclosed