SCHEMBL8302103

SCHEMBL8302103

C=C(OC)c1cc(N)cc2c1OCCO2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
PLK1 P53350 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CTNNB1 P35222 1/20 0.32
WNT3A P56704 1/20 0.32
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1056103 0.81 KDM4E (0.60) KDM4EALDH1A1PLK1L3MBTL1MAPT
SCHEMBL31160025 0.81 KDM4E (0.60) KDM4EALDH1A1PLK1L3MBTL1MAPT
SCHEMBL6373245 0.76 KDM4E (0.54) KDM4EALDH1A1PLK1MAPTPOLB
SCHEMBL23193829 0.76 KDM4E (0.66) KDM4EALDH1A1L3MBTL1MAPTPOLB
SCHEMBL9053612 0.73 KDM4E (0.42) KDM4EALDH1A1PLK1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL4164962 0.72 MAPT (0.42) KDM4EALDH1A1PLK1L3MBTL1MAPT
SCHEMBL12184928 0.71 PLK1 (0.53) KDM4EALDH1A1PLK1L3MBTL1MAPT
SCHEMBL8407148 0.69 KDM4E (0.41) KDM4EALDH1A1PLK1L3MBTL1MAPT
SCHEMBL30330238 0.69 MAPT (0.41) KDM4EALDH1A1PLK1MAPTGAA
SCHEMBL25166136 0.69 MAPT (0.41) KDM4EALDH1A1PLK1MAPTGAA

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-2005003124-A1 HETEROCYCLIC SUBSTITUTED 4-(AMINOMETHYL)-PIPERIDINE BENZAMIDES AS 5HT4-ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-13 WO disclosed