SCHEMBL14966876

SCHEMBL14966876

Cc1cc(C)c(CNC(=O)c2ccc(C(CO)Oc3ccccc3)cc2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KLKB1 P03952 4/20 0.42
GCG P01275 6/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 2/20 0.39
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
GCGR P47871 3/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL14967470 0.92 SMN1; SMN2 (0.43) SMN1; SMN2KLKB1GCGKDM4EMEN1
SCHEMBL14967256 0.90 GCGR (0.42) SMN1; SMN2KLKB1GCGKDM4EMEN1
SCHEMBL14966658 0.89 SMN1; SMN2 (0.45) SMN1; SMN2KLKB1KDM4EMEN1ALDH1A1
SCHEMBL14967419 0.89 SMN1; SMN2 (0.45) SMN1; SMN2KLKB1KDM4EMEN1ALDH1A1
SCHEMBL14967406 0.89 SMN1; SMN2 (0.45) SMN1; SMN2KLKB1KDM4EMEN1ALDH1A1
SCHEMBL14967141 0.86 SMN1; SMN2 (0.43) SMN1; SMN2KLKB1KDM4EMEN1ALDH1A1
SCHEMBL14967422 0.83 MAPK14 (0.56) SMN1; SMN2KLKB1MEN1ALDH1A1KMT2A
SCHEMBL14969251 0.82 SMN1; SMN2 (0.43) SMN1; SMN2KLKB1KDM4EMEN1ALDH1A1
SCHEMBL14967335 0.82 KLKB1 (0.48) SMN1; SMN2KLKB1KDM4EMEN1ALDH1A1
SCHEMBL14967167 0.82 KLKB1 (0.48) SMN1; SMN2KLKB1KDM4EMEN1ALDH1A1

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