SCHEMBL991232

SCHEMBL991232

COc1ccc(CC(=O)Cc2ccccn2)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 1/20 0.55
POLB P06746 1/20 0.50
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
SYK P43405 7/20 0.46
ABCB1 P08183 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AURKB Q96GD4 2/20 0.45
INCENP Q9NQS7 2/20 0.45
PLA2G2A P14555 1/20 0.44
VNN1 O95497 1/20 0.43

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
SCHEMBL15751641 0.85 KDM4E (0.51) L3MBTL1KDM4EMAPTKMT2AMEN1
SCHEMBL787524 0.84 KDM4E (0.50) KDM4EMAPT
SCHEMBL5841560 0.80 POLB (0.60) L3MBTL1KDM4EMAPTPOLBLMNA
SCHEMBL10584591 0.80 MEN1 (0.56) L3MBTL1KDM4EMAPTKMT2AMEN1
SCHEMBL798050 0.79 ESR1 (0.58) L3MBTL1KDM4EMAPTPOLBMTNR1A
SCHEMBL28691182 0.76 POLB (0.62) POLB
SCHEMBL2142240 0.75 RAB9A (0.58) POLBSMN1; SMN2
SCHEMBL787766 0.74 MAPT (0.61) L3MBTL1KDM4EMAPTPOLBMTNR1A
SCHEMBL30134679 0.74 MAPT (0.61) L3MBTL1KDM4EMAPTPOLBMTNR1A
SCHEMBL30335932 0.74 POLB (0.73) KDM4EMAPTPOLBLMNAHTT

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-2451781-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR Givaudan SA (CH) 2012-05-16 EP claimed
WO-2011004016-A1 PYRIDINE DERIVATIVES WITH UMAMI FLAVOUR GIVAUDAN SA (CH) 2011-01-13 WO claimed