SCHEMBL14966545

SCHEMBL14966545

Cc1cc(C)c(CNC(=O)c2ccc(CCOc3ccccc3)nc2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 4/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
RECQL P46063 1/20 0.38
HPGDS O60760 1/20 0.38
MAPK14 Q16539 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL14966617 0.91 TSHR (0.43) KLKB1LMNAMEN1KMT2AALDH1A1
SCHEMBL14966659 0.87 LMNA (0.48) KLKB1SMN1; SMN2HPGDHSD17B10LMNA
SCHEMBL14966404 0.85 KLKB1 (0.41) KLKB1SMN1; SMN2HPGDHSD17B10KDM4E
SCHEMBL14966827 0.85 SMN1; SMN2 (0.43) KLKB1SMN1; SMN2HPGDHSD17B10LMNA
SCHEMBL14966965 0.84 NPC1 (0.47) KLKB1SMN1; SMN2HPGDHSD17B10LMNA
SCHEMBL14966625 0.83 SMN1; SMN2 (0.43) KLKB1SMN1; SMN2HPGDHSD17B10LMNA
SCHEMBL14967152 0.83 KDM4E (0.43) KLKB1SMN1; SMN2HPGDLMNAMEN1
SCHEMBL14966442 0.82 KLKB1 (0.41) KLKB1SMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL14967198 0.81 SLC6A5 (0.44) KLKB1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL14967238 0.81 KLKB1 (0.44) KLKB1SMN1; SMN2LMNAMEN1KMT2A

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