SCHEMBL14966965

SCHEMBL14966965

Cc1cc(C)c(CNC(=O)c2ccc(CCCOc3ccccc3)cc2)c(O)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 7/20 0.45
MAPT P10636 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAPK14 Q16539 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KLKB1 P03952 2/20 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
SCHEMBL14966659 0.95 LMNA (0.48) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL14967299 0.91 MEN1 (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14969436 0.89 MAPK14 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14966854 0.89 LMNA (0.61) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL14967258 0.89 POLB (0.50) LMNASMN1; SMN2HPGDHSD17B10KLKB1
SCHEMBL14966781 0.87 RAB9A (0.47) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL14966778 0.87 NPC1 (0.49) NPC1LMNASMN1; SMN2MAPTMAPK14
SCHEMBL14966398 0.86 POLB (0.52) MEN1KMT2ALMNASMN1; SMN2MAPK14
SCHEMBL14967113 0.86 LMNA (0.50) NPC1RAB9ALMNASMN1; SMN2MAPK14
SCHEMBL14966647 0.86 SCN9A (0.44) RAB9ALMNASMN1; SMN2MAPTMAPK14

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-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed