SCHEMBL14966544

SCHEMBL14966544

Cc1cc(C)c(CNC(=O)c2ccc(C(C)Oc3ccccc3)nc2)c(O)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
GABRA5 P31644 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGDS O60760 2/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
BRD4 O60885 1/20 0.37
TP53 P04637 1/20 0.36
MAP4K1 Q92918 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
SCHEMBL14972131 0.91 POLB (0.43) KLKB1MEN1ALDH1A1KMT2APOLB
SCHEMBL14967419 0.86 SMN1; SMN2 (0.45) KLKB1SMN1; SMN2OPRM1OPRK1KDM4E
SCHEMBL14967406 0.86 SMN1; SMN2 (0.45) KLKB1SMN1; SMN2OPRM1OPRK1KDM4E
SCHEMBL14966658 0.86 SMN1; SMN2 (0.45) KLKB1SMN1; SMN2OPRM1OPRK1KDM4E
SCHEMBL14966826 0.84 SMN1; SMN2 (0.41) KLKB1SMN1; SMN2OPRM1OPRK1KDM4E
SCHEMBL14967045 0.84 SMN1; SMN2 (0.41) KLKB1SMN1; SMN2OPRM1OPRK1KDM4E
SCHEMBL14966630 0.84 KLKB1 (0.41) KLKB1SMN1; SMN2OPRM1OPRK1KDM4E
SCHEMBL14972008 0.82 EZH2 (0.53)
SCHEMBL14966641 0.82 SMN1; SMN2 (0.40) KLKB1SMN1; SMN2OPRM1OPRK1KDM4E
SCHEMBL14967364 0.82 KDM4E (0.41) KLKB1SMN1; SMN2OPRM1OPRK1KDM4E

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 4 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
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