SCHEMBL14966673

SCHEMBL14966673

Cc1cc(C)c(CNC(=O)c2ccc(C(C)OC3CCCCC3)cc2)c(O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 1/20 0.44
▸ RBBP4 Q09028 1/20 0.44
▸ SUZ12 Q15022 1/20 0.44
▸ EZH2 Q15910 1/20 0.44
▸ AEBP2 Q6ZN18 1/20 0.44
▸ RAMP1 O60894 1/20 0.39
▸ CALCRL Q16602 1/20 0.39
▸ CCR5 P51681 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ KLKB1 P03952 5/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ TRPV1 Q8NER1 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
SCHEMBL14969511 0.91 EZH2 (0.40) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14967357 0.87 EZH2 (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL17319371 0.87 EZH2 (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL17319370 0.87 EZH2 (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL17319369 0.87 EZH2 (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL17319368 0.87 EZH2 (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14966828 0.84 SMN1; SMN2 (0.41) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14966633 0.83 KLKB1 (0.39) EZH2CCR5MEN1KMT2AKLKB1
SCHEMBL14966452 0.82 EZH2 (0.39) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14966619 0.81 EZH2 (0.40) EEDRBBP4SUZ12EZH2AEBP2

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
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