SCHEMBL3377466

SCHEMBL3377466

COC(=O)c1cnc2ccc(=O)n(C)c2c1OCc1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NPBWR1 P48145 1/20 0.39
MCHR1 Q99705 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.39
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
ALKBH1 Q13686 1/20 0.37

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
SCHEMBL3351783 0.90 NPC1 (0.44) MAOBHDAC8FFAR1KDM4ESMN1; SMN2
SCHEMBL3346955 0.89 PLK1 (0.42) MAOBHDAC8ALDH1A1HTTMAPT
SCHEMBL3345433 0.81 CSF1R (0.41) NPBWR1MCHR1ALDH1A1KDM4E
SCHEMBL3091352 0.75 KDM4E (0.41) ALDH1A1HTTKDM4ESMN1; SMN2RAB9A
SCHEMBL3095482 0.74 TSHR (0.42) ALDH1A1HTTMAPTKDM4ESMN1; SMN2
SCHEMBL3104419 0.71 ALDH1A1 (0.38) ALDH1A1HTTMAPTKDM4ESMN1; SMN2
SCHEMBL14699870 0.69 FFAR4 (0.46) HDAC8ALDH1A1HTTMAPTFFAR1
SCHEMBL23512705 0.68 FFAR4 (0.51) HDAC8ALDH1A1HTTMAPTFFAR1
SCHEMBL14699786 0.68 MAPT (0.48) HDAC8ALDH1A1HTTMAPTFFAR1
SCHEMBL22120001 0.68 MAOB (0.46) MAOBALDH1A1HTTMAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 WO disclosed