SCHEMBL1725396

SCHEMBL1725396

COC(=O)C=CNc1ccc(OC)nc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.51
MEN1 O00255 7/20 0.51
MAPT P10636 5/20 0.51
KDM4E B2RXH2 4/20 0.51
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
ALDH1A1 P00352 6/20 0.50
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 1/20 0.50
POLB P06746 5/20 0.49
PABPC1 P11940 3/20 0.49
NNMT P40261 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.45

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
SCHEMBL1725393 1.00 KMT2A (0.51) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL1726140 0.88 NPC1 (0.54) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL1726142 0.88 NPC1 (0.54) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL196260 0.77 KMT2A (0.51) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL17844984 0.76 KMT2A (0.51) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL8664419 0.75 FDPS (0.58) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL8664417 0.75 FDPS (0.58) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL15130452 0.72 NPC1 (0.48) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL15130451 0.72 NPC1 (0.48) KMT2AMEN1MAPTKDM4ERAB9A
SCHEMBL3761569 0.72 KMT2A (0.68) KMT2AMEN1MAPTKDM4ERAB9A

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-2403833-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-01-11 EP disclosed
WO-2010101949-A1 8-SUBSTITUTED QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-09-10 WO disclosed