SCHEMBL14966798

SCHEMBL14966798

Cc1cccc(OC(C)c2ccc(C(=O)NCc3c(C)cc(C)nc3O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
MMP13 P45452 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
GCGR P47871 1/20 0.38
LMNA P02545 1/20 0.37
CCR5 P51681 1/20 0.37
MAPK14 Q16539 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 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
SCHEMBL14966658 0.92 SMN1; SMN2 (0.45) KLKB1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL14967419 0.92 SMN1; SMN2 (0.45) KLKB1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL14967406 0.92 SMN1; SMN2 (0.45) KLKB1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL14972266 0.90 LMNA (0.41) KLKB1SMN1; SMN2LMNACCR5NPC1
SCHEMBL14966539 0.90 LMNA (0.41) KLKB1SMN1; SMN2LMNACCR5NPC1
SCHEMBL14967050 0.90 KLKB1 (0.46) KLKB1SMN1; SMN2MAPTTP53LMNA
SCHEMBL14972144 0.90 SMN1; SMN2 (0.42) POLBHTTSMN1; SMN2MAPTMMP13
SCHEMBL14972341 0.88 KLKB1 (0.41) KLKB1SMN1; SMN2CCR5RAB9A
SCHEMBL14967264 0.87 SMN1; SMN2 (0.42) POLBHTTGAASMN1; SMN2TSHR
SCHEMBL14969416 0.86 PPARA (0.45) POLBGAASMN1; SMN2MAPTTP53

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