SCHEMBL8625477

SCHEMBL8625477

O=C(O)c1nc2ccc(Oc3ccccc3)cc2cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSP90AA1 P07900 1/20 0.47
FFAR1 O14842 5/20 0.44
FFAR4 Q5NUL3 3/20 0.44
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NR4A2 P43354 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
SRD5A2 P31213 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6566122 0.91 HDAC8 (0.51) MEN1KMT2AHSP90AA1HTTSMN1; SMN2
SCHEMBL8628913 0.88 MRGPRX4 (0.50) FFAR1FFAR4NR4A2KDM4EALDH1A1
SCHEMBL7744003 0.88 HDAC8 (0.57) MEN1KMT2AHSP90AA1STAT3HTT
SCHEMBL8629707 0.86 MCL1 (0.51) MCL1MEN1KMT2AHSP90AA1STAT3
SCHEMBL8629309 0.85 MEN1 (0.53) MEN1KMT2AHSP90AA1STAT3HTT
SCHEMBL8629713 0.85 KMT2A (0.53) MEN1KMT2AHSP90AA1STAT3HTT
SCHEMBL6564097 0.83 HDAC8 (0.50) MEN1KMT2AHSP90AA1HTTSMN1; SMN2
SCHEMBL8630494 0.83 SMN1; SMN2 (0.51) MEN1KMT2AHSP90AA1SMN1; SMN2ALDH1A1
SCHEMBL4703021 0.83 SMN1; SMN2 (0.62) MEN1KMT2ASTAT3HTTSMN1; SMN2
SCHEMBL20067906 0.82 PTGER1 (0.49) STAT3HTTSMN1; SMN2NPC1MRGPRX4

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