SCHEMBL14966459

SCHEMBL14966459

Cc1cc(C)c(CNC(=O)c2ccc(CCOc3ncccn3)cc2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.40
MAP4K1 Q92918 2/20 0.40
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MMP10 P09238 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
NR1H4 Q96RI1 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
SCHEMBL14967153 0.89 KDM4E (0.40) KLKB1MAP4K1LMNARECQLSMN1; SMN2
SCHEMBL14966659 0.88 LMNA (0.48) KLKB1LMNASMN1; SMN2HPGDHSD17B10
SCHEMBL14966830 0.87 KLKB1 (0.44) KLKB1MAP4K1RECQLSMN1; SMN2KDM4E
SCHEMBL14967113 0.87 LMNA (0.50) LMNARECQLSMN1; SMN2MMP13
SCHEMBL14966474 0.87 MAPK14 (0.44) LMNASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14966879 0.86 MAPK14 (0.39) KLKB1MAP4K1LMNASMN1; SMN2KDM4E
SCHEMBL14966778 0.86 NPC1 (0.49) LMNASMN1; SMN2MMP13
SCHEMBL14966398 0.85 POLB (0.52) KLKB1LMNASMN1; SMN2HPGDMEN1
SCHEMBL14966647 0.85 SCN9A (0.44) LMNASMN1; SMN2MMP13HPGDHSD17B10
SCHEMBL14966935 0.84 RAB9A (0.46) LMNAMMP10MMP8MMP13HPGD

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