SCHEMBL14966917

SCHEMBL14966917

Cc1cc(C)c(CNC(=O)c2ccc([C@@H](C)c3ccccc3)cc2C)c(O)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.44
EED O75530 1/20 0.41
RBBP4 Q09028 1/20 0.41
SUZ12 Q15022 1/20 0.41
EZH2 Q15910 1/20 0.41
AEBP2 Q6ZN18 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HCRTR1 O43613 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL14972066 1.00 KLKB1 (0.44) KLKB1EEDRBBP4SUZ12EZH2
SCHEMBL14966902 1.00 KLKB1 (0.44) KLKB1EEDRBBP4SUZ12EZH2
SCHEMBL14967617 0.90 KLKB1 (0.48) KLKB1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL14967335 0.90 KLKB1 (0.48) KLKB1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL14967167 0.90 KLKB1 (0.48) KLKB1MEN1KMT2ASMN1; SMN2OPRM1
SCHEMBL14967494 0.88 SORT1 (0.39) KLKB1EZH2MEN1KMT2ASMN1; SMN2
SCHEMBL17319363 0.87 KLKB1 (0.43) KLKB1EEDRBBP4SUZ12EZH2
SCHEMBL17319364 0.87 KLKB1 (0.43) KLKB1EEDRBBP4SUZ12EZH2
SCHEMBL14966441 0.87 OPRM1 (0.41) KLKB1EEDRBBP4SUZ12EZH2
SCHEMBL14966905 0.81 SMN1; SMN2 (0.47) KLKB1MEN1KMT2ASMN1; SMN2OPRM1

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