SCHEMBL12812751

SCHEMBL12812751

CNc1ccccc1C(=O)Nc1cccc(C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
ALDH1A1 P00352 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.63
SLC10A2 Q12908 1/20 0.59
SLC10A1 Q14973 1/20 0.59
SLC10A6 Q3KNW5 1/20 0.59
KCNK3 O14649 6/20 0.58
KCNK9 Q9NPC2 6/20 0.58
RXFP1 Q9HBX9 2/20 0.58
GRM5 P41594 1/20 0.55
HSD17B10 Q99714 1/20 0.54
KCNH2 Q12809 1/20 0.54
POLB P06746 1/20 0.54
SORT1 Q99523 1/20 0.53
NPC1 O15118 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL27134479 0.87 RXFP1 (0.67) MEN1KMT2AALDH1A1L3MBTL1SLC10A2
SCHEMBL9189162 0.84 MEN1 (0.64) MEN1KMT2AALDH1A1HSD17B10POLB
SCHEMBL533767 0.83 KCNK3 (0.81) MEN1KMT2AALDH1A1L3MBTL1KCNK3
SCHEMBL9471092 0.82 MEN1 (0.64) MEN1KMT2AALDH1A1L3MBTL1SLC10A2
SCHEMBL14396861 0.82 BRAF (0.58) MEN1KMT2AALDH1A1L3MBTL1SLC10A2
SCHEMBL259352 0.81 MEN1 (0.72) MEN1KMT2AALDH1A1L3MBTL1KCNK3
SCHEMBL3356211 0.81 MEN1 (1.00) MEN1KMT2AALDH1A1L3MBTL1KCNK3
SCHEMBL16941525 0.81 MEN1 (0.72) MEN1KMT2AALDH1A1L3MBTL1KCNK3
SCHEMBL31424193 0.81 MEN1 (0.72) MEN1KMT2AALDH1A1L3MBTL1KCNK3
SCHEMBL7181742 0.81 MEN1 (0.71) MEN1KMT2AALDH1A1L3MBTL1KCNK3

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
EP-1277738-B1 CONDENSED HETEROARYL DERIVATIVES ASTELLAS PHARMA INC (JP) 2011-03-30 EP disclosed