SCHEMBL14969042

SCHEMBL14969042

Cc1cc(C)c(CNC(=O)c2ccc([C@H](C)Oc3ccc(F)cc3F)cc2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 13/20 0.43
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 2/20 0.36
GCG P01275 1/20 0.36

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
SCHEMBL14966574 1.00 KLKB1 (0.43) KLKB1LMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL14972250 1.00 KLKB1 (0.43) KLKB1LMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL14969791 0.92 TDP1 (0.39) KLKB1LMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL14969477 0.92 TDP1 (0.39) KLKB1LMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL14966934 0.92 TDP1 (0.39) KLKB1LMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL14966982 0.89 PPARA (0.45) LMNAHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL14969416 0.89 PPARA (0.45) LMNAHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL14969773 0.89 PPARA (0.45) LMNAHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL14967050 0.87 KLKB1 (0.46) KLKB1LMNAHPGDHSD17B10SMN1; SMN2
SCHEMBL14966473 0.87 MAPK14 (0.42) KLKB1HPGDSMN1; SMN2ALDH1A1BRD4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
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
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed