SCHEMBL14966903

SCHEMBL14966903

Cc1cc(C)c(CNC(=O)c2ccc(C(C)Oc3ccccc3)cc2F)c(O)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
KLKB1 P03952 5/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 4/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
OPRD1 P41143 1/20 0.35
PPARA Q07869 1/20 0.35
EZH2 Q15910 1/20 0.35

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
SCHEMBL14966551 1.00 MEN1 (0.40) MEN1KMT2AOPRM1OPRK1KLKB1
SCHEMBL14967294 1.00 MEN1 (0.40) MEN1KMT2AOPRM1OPRK1KLKB1
SCHEMBL14966441 0.91 OPRM1 (0.41) MEN1KMT2AOPRM1OPRK1KLKB1
SCHEMBL14966341 0.89 RAB9A (0.39) MEN1KMT2AOPRM1OPRK1KLKB1
SCHEMBL14966658 0.85 SMN1; SMN2 (0.45) MEN1KMT2AOPRM1OPRK1KLKB1
SCHEMBL14967406 0.85 SMN1; SMN2 (0.45) MEN1KMT2AOPRM1OPRK1KLKB1
SCHEMBL14967419 0.85 SMN1; SMN2 (0.45) MEN1KMT2AOPRM1OPRK1KLKB1
SCHEMBL14972096 0.81 EZH2 (0.56) EZH2
SCHEMBL14967162 0.81 SMN1; SMN2 (0.40) MEN1KMT2AOPRM1OPRK1KLKB1
SCHEMBL14966641 0.81 SMN1; SMN2 (0.40) MEN1KMT2AOPRM1OPRK1KLKB1

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