SCHEMBL8632069

SCHEMBL8632069

CC(=O)c1nc2cccc(Oc3ccccc3)c2cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.42
BRD4 O60885 1/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
MMP13 P45452 1/20 0.42
MRGPRX4 Q96LA9 3/20 0.42
NR4A2 P43354 1/20 0.41
SRD5A2 P31213 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8630002 0.84 RXRA (0.49) MAOBSMN1; SMN2BRD4STAT3HTT
SCHEMBL6565684 0.81 SMN1; SMN2 (0.63) MAOBSMN1; SMN2BRD4STAT3HTT
SCHEMBL6564097 0.77 HDAC8 (0.50) MAOBSMN1; SMN2HTTMMP13MRGPRX4
SCHEMBL6564103 0.77 MAOB (0.48) MAOBSMN1; SMN2HTTMMP13MRGPRX4
SCHEMBL20067905 0.76 SMN1; SMN2 (0.49) MAOBSMN1; SMN2BRD4STAT3HTT
SCHEMBL3895311 0.75 SRC (0.51)
SCHEMBL30563875 0.75 MRGPRX4 (0.49) MMP13MRGPRX4MAPTKDM4EHPGD
SCHEMBL6567304 0.75 HDAC8 (0.56) MAOBSMN1; SMN2STAT3HTTMEN1
SCHEMBL21222769 0.75 MRGPRX4 (0.49) MMP13MRGPRX4MAPTKDM4EHPGD
SCHEMBL6566226 0.74 RXRA (0.54) MRGPRX4SRD5A2FFAR1

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