SCHEMBL4078718

SCHEMBL4078718

COc1ccc(NC(=S)NCc2cc3cc(OC)ccc3[nH]c2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.69
KDM4E B2RXH2 10/20 0.69
ALDH1A1 P00352 8/20 0.69
GAA P10253 6/20 0.69
HSD17B10 Q99714 5/20 0.69
ALOX15 P16050 3/20 0.69
APAF1 O14727 2/20 0.69
CASP1 P29466 2/20 0.69
CASP7 P55210 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
NPC1 O15118 1/20 0.69
MAPK1 P28482 1/20 0.69
ALOX12 P18054 1/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 3/20 0.58
POLB P06746 1/20 0.56
HIF1A Q16665 1/20 0.56
HTT P42858 3/20 0.54
RECQL P46063 1/20 0.54
IDH1 O75874 1/20 0.54

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
SCHEMBL5445669 0.84 KDM4E (0.65) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL4072881 0.78 MAPT (0.72) MAPTKDM4EALDH1A1HSD17B10ALOX15
SCHEMBL9293461 0.75 KDM4E (0.65) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL5459219 0.74 KDM4E (0.58) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL9293307 0.73 KDM4E (0.65) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL4079416 0.71 KDM4E (0.84) MAPTKDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL18168142 0.71 MAPT (0.72) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL18168209 0.71 MAPT (0.72) MAPTKDM4EALDH1A1GAAHSD17B10
SCHEMBL13753681 0.70 ALDH1A1 (0.71) MAPTALDH1A1GAASMN1; SMN2LMNA
SCHEMBL18168163 0.70 MAPT (0.71) MAPTKDM4EALDH1A1GAAHSD17B10

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
EP-2040711-A2 2-OXO-1,2-DIHYDROQUINOLINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS Amphora Discovery Corporation (US) 2009-04-01 EP disclosed
WO-2007136592-A2 2-0X0-L,2-DIHYDR0QUIN0LINE DERIVATIVES, COMPOSITIONS, AND USES THEREOF AS ANTIPROLIFERATIVE AGENTS AMPHORA DISCOVERY CORPORATION (US) 2007-11-29 WO disclosed