SCHEMBL5348366

SCHEMBL5348366

C#CCNC(=O)c1cccc(C(=O)N(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.44
MEN1 O00255 2/20 0.43
NAMPT P43490 1/20 0.43
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
PKM P14618 1/20 0.41
MAOB P27338 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL13702339 0.83 SMN1; SMN2 (0.54) KMT2AGAAHSD17B10SMN1; SMN2MEN1
SCHEMBL3348765 0.81 CA12 (0.53) KMT2AGAAHSD17B10CA12CA1
SCHEMBL5353868 0.80 L3MBTL1 (0.65) KMT2AGAAHSD17B10SMN1; SMN2MEN1
SCHEMBL29650963 0.80 HDAC8 (0.59) KMT2ACA12CA1CA2CA9
SCHEMBL4820100 0.80 GRM5 (0.58) KMT2ACA12CA1CA2CA9
SCHEMBL28527018 0.80 HDAC8 (0.59) KMT2ACA12CA1CA2CA9
SCHEMBL31116810 0.78 KDM4E (0.54) KMT2AGAAHSD17B10CA12CA1
SCHEMBL27136913 0.78 L3MBTL1 (0.67) KMT2AGAACA12CA1CA2
SCHEMBL31607772 0.78 L3MBTL1 (0.67) KMT2AGAACA12CA1CA2
SCHEMBL4813469 0.78 HDAC1 (0.57) KMT2AGAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214715-B2 Compounds to treat Alzheimer's disease PHARMACIA & UPJOHN (US) 2007-05-08 US disclosed