SCHEMBL14966617

SCHEMBL14966617

Cc1cc(C)c(CNC(=O)c2ccc(CCOc3cccnc3)nc2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
KLKB1 P03952 2/20 0.42
LMNA P02545 3/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.40
TBXAS1 P24557 2/20 0.40
POLB P06746 1/20 0.39
MMP13 P45452 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL14966545 0.91 KLKB1 (0.41) KLKB1LMNARECQLKMT2APOLB
SCHEMBL14972131 0.82 POLB (0.43) TSHRKLKB1LMNARECQLKMT2A
SCHEMBL14966659 0.78 LMNA (0.48) KLKB1LMNAKMT2APOLBMEN1
SCHEMBL14967113 0.78 LMNA (0.50) TSHRLMNARECQLMMP13GAA
SCHEMBL14966827 0.77 SMN1; SMN2 (0.43) KLKB1LMNARECQLKMT2APOLB
SCHEMBL14966404 0.77 KLKB1 (0.41) KLKB1ALDH1A1HTT
SCHEMBL14966398 0.76 POLB (0.52) KLKB1LMNAKMT2APOLBALDH1A1
SCHEMBL14966965 0.76 NPC1 (0.47) KLKB1LMNAKMT2AMEN1
SCHEMBL14967152 0.75 KDM4E (0.43) KLKB1LMNAKMT2AALDH1A1HTT
SCHEMBL14966625 0.75 SMN1; SMN2 (0.43) KLKB1LMNAKMT2AALDH1A1HTT

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