SCHEMBL14967341

SCHEMBL14967341

Cc1ccc(C(=O)NCc2c(C)cc(C)nc2O)c(CCOc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
HTT P42858 1/20 0.39
GLA P06280 1/20 0.39
AKR1C3 P42330 1/20 0.38
CASR P41180 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
CNR1 P21554 1/20 0.37
KLKB1 P03952 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 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
SCHEMBL14967198 0.91 SLC6A5 (0.44) MEN1KMT2APOLBSMN1; SMN2HTT
SCHEMBL14966442 0.85 KLKB1 (0.41) SMN1; SMN2HTTCASRSLC6A5RAB9A
SCHEMBL14966827 0.83 SMN1; SMN2 (0.43) MEN1KMT2APOLBSMN1; SMN2HTT
SCHEMBL14966342 0.83 RAB9A (0.43) MEN1KMT2ASMN1; SMN2RAB9AHPGD
SCHEMBL14966552 0.83 PPARG (0.40) MEN1KMT2ASMN1; SMN2HTTKLKB1
SCHEMBL14966659 0.81 LMNA (0.48) MEN1KMT2APOLBSMN1; SMN2RAB9A
SCHEMBL14967152 0.81 KDM4E (0.43) MEN1KMT2ASMN1; SMN2HTTRAB9A
SCHEMBL14966625 0.81 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2HTTRAB9A
SCHEMBL14966646 0.80 KLKB1 (0.46) SMN1; SMN2HTTHPGDKLKB1LMNA
SCHEMBL14966404 0.80 KLKB1 (0.41) SMN1; SMN2HTTRAB9AHPGDALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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