SCHEMBL14966755

SCHEMBL14966755

Cc1cc(C)c(CNC(=O)c2ccc(C3Cc4ccccc4O3)cc2)c(O)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC8A1 P32418 5/20 0.39
▸ ROCK2 O75116 4/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ KLKB1 P03952 7/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL14972203 0.83 EZH2 (0.47) —
SCHEMBL14966911 0.79 KMT2A (0.44) MEN1KMT2AKLKB1SMN1; SMN2HPGD
SCHEMBL14967199 0.77 CCR5 (0.50) KLKB1
SCHEMBL14966692 0.75 KLKB1 (0.40) KLKB1
SCHEMBL14966808 0.74 KLKB1 (0.51) KLKB1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14966781 0.74 RAB9A (0.47) KLKB1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL14972213 0.74 EZH2 (0.48) SLC8A1
SCHEMBL14967422 0.73 MAPK14 (0.56) MEN1KMT2AKLKB1SMN1; SMN2ALDH1A1
SCHEMBL14967335 0.72 KLKB1 (0.48) MEN1KMT2AKLKB1SMN1; SMN2KDM4E
SCHEMBL14966734 0.72 KLKB1 (0.52) MEN1KMT2AKLKB1SMN1; SMN2ALDH1A1

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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