SCHEMBL8295142

SCHEMBL8295142

COc1ccc(C(N)=O)c2c1OCCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
LMNA P02545 4/20 0.65
ALDH1A1 P00352 1/20 0.65
HSD17B10 Q99714 1/20 0.65
PARP1 P09874 2/20 0.44
MAPT P10636 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
NNMT P40261 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36

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
SCHEMBL857118 0.86 KDM4E (0.67) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL858141 0.84 KDM4E (0.65) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL8295983 0.84 ALDH1A1 (0.56) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL6837800 0.83 KDM4E (0.67) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL14419887 0.82 KDM4E (0.51) KDM4ELMNAALDH1A1HSD17B10PARP1
SCHEMBL6729531 0.79 ALDH1A1 (1.00) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL4475519 0.79 KDM4E (0.76) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL11271758 0.78 KDM4E (0.73) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL4467144 0.78 KDM4E (0.73) KDM4ELMNAALDH1A1HSD17B10MAPT
SCHEMBL22825094 0.75 KDM4E (0.69) KDM4ELMNAALDH1A1HSD17B10MAPT

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
WO-2005003122-A1 5HT4-ANTAGONISTIC 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed