SCHEMBL688726

SCHEMBL688726

CCOC(=O)OC1=CN(C(C)=O)CCc2c1[nH]c1ccc(-c3ccc(OC)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.40
KDM4E B2RXH2 8/20 0.39
MAPT P10636 4/20 0.39
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPKAPK2 P49137 3/20 0.39
POLB P06746 2/20 0.39
KDR P35968 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CASP1 P29466 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
SCHEMBL273746 0.86 NR1H4 (0.53) BAZ2BKDM4EMAPTALOX15SMN1; SMN2
SCHEMBL274833 0.78 NR1H4 (0.53) KDM4EMAPTALOX15SMN1; SMN2HSD17B10
SCHEMBL273672 0.78 NR1H4 (0.56) BAZ2BKDM4EMAPTALOX15SMN1; SMN2
SCHEMBL274121 0.77 NR1H4 (0.65) KDM4EMAPTALOX15SMN1; SMN2HSD17B10
SCHEMBL275044 0.75 NR1H4 (0.65) KDM4EMAPTALOX15SMN1; SMN2HSD17B10
SCHEMBL274679 0.74 NR1H4 (0.73) KDM4EMAPTALOX15SMN1; SMN2HSD17B10
SCHEMBL275249 0.74 NR1H4 (0.61) KDM4EMAPTALOX15SMN1; SMN2HSD17B10
SCHEMBL275067 0.73 NR1H4 (0.59) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL273066 0.72 NR1H4 (0.56) KDM4EMAPTALOX15SMN1; SMN2HSD17B10
SCHEMBL273445 0.72 PLK4 (0.49) KDM4EMAPTALOX15SMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP claimed