SCHEMBL8630002

SCHEMBL8630002

CC(=O)c1nc2cccc(OC(F)(F)F)c2cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
MRGPRX4 Q96LA9 3/20 0.41
MAOB P27338 1/20 0.41
BRD4 O60885 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
FFAR1 O14842 1/20 0.40
SRD5A2 P31213 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPIA P62937 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6566226 0.91 RXRA (0.54) RXRARXRBRXRGMRGPRX4FFAR1
SCHEMBL8632069 0.84 MAOB (0.48) MRGPRX4MAOBBRD4STAT3HTT
SCHEMBL6567478 0.83 KMT2A (0.48) RXRARXRBRXRGMEN1KMT2A
SCHEMBL6566228 0.82 RXRA (0.49) RXRARXRBRXRGMRGPRX4STAT3
SCHEMBL6565684 0.80 SMN1; SMN2 (0.63) MRGPRX4MAOBBRD4STAT3HTT
SCHEMBL20067905 0.77 SMN1; SMN2 (0.49) MRGPRX4MAOBBRD4STAT3HTT
SCHEMBL21222769 0.74 MRGPRX4 (0.49) RXRAMRGPRX4PPIAMAPTMAPK1
SCHEMBL30563875 0.74 MRGPRX4 (0.49) RXRAMRGPRX4PPIAMAPTMAPK1
SCHEMBL8629531 0.73 MRGPRX4 (0.44) RXRARXRBRXRGMRGPRX4STAT3
SCHEMBL6567153 0.72 MAOB (0.48) MRGPRX4MAOBHTTFFAR1PPIA

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