SCHEMBL14967484

SCHEMBL14967484

Cc1cc(C)c(CNC(=O)c2ccc([C@@H](C)Oc3ccccc3)c(F)c2)c(O)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
KLKB1 P03952 15/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 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
SCHEMBL14966641 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KLKB1MAPTKDM4EMEN1
SCHEMBL14967162 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KLKB1MAPTKDM4EMEN1
SCHEMBL14966826 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KLKB1MAPTKDM4EMEN1
SCHEMBL14967045 0.91 SMN1; SMN2 (0.41) SMN1; SMN2KLKB1MAPTKDM4EMEN1
SCHEMBL14967364 0.89 KDM4E (0.41) SMN1; SMN2KLKB1MAPTKDM4EMEN1
SCHEMBL14967151 0.89 KDM4E (0.41) SMN1; SMN2KLKB1MAPTKDM4EMEN1
SCHEMBL14967281 0.89 KDM4E (0.41) SMN1; SMN2KLKB1MAPTKDM4EMEN1
SCHEMBL14966924 0.88 KLKB1 (0.37) SMN1; SMN2KLKB1MAPTTP53
SCHEMBL14967406 0.85 SMN1; SMN2 (0.45) SMN1; SMN2KLKB1MAPTKDM4EMEN1
SCHEMBL14966658 0.85 SMN1; SMN2 (0.45) SMN1; SMN2KLKB1MAPTKDM4EMEN1

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 3 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