SCHEMBL7022247

SCHEMBL7022247

COc1ccc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)c(N)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
ATR Q13535 1/20 0.44
HPN P05981 1/20 0.42
NAMPT P43490 2/20 0.42
HDAC1 Q13547 3/20 0.41
DYRK1A Q13627 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
AKT1 P31749 1/20 0.40
SDCBP O00560 1/20 0.40
SDC2 P34741 1/20 0.40
GAA P10253 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL2925641 0.80 GRM2 (0.44) GRM2L3MBTL1ATRHPNNAMPT
SCHEMBL20770858 0.80 GRM2 (0.46) GRM2L3MBTL1ATRHPNNAMPT
SCHEMBL30686742 0.79 NAMPT (0.46) GRM2L3MBTL1ATRNAMPTHDAC1
SCHEMBL26942761 0.79 NAMPT (0.46) GRM2L3MBTL1ATRNAMPTHDAC1
SCHEMBL18664387 0.76 HDAC1 (0.53) GRM2L3MBTL1ATRHPNNAMPT
SCHEMBL10264861 0.75 L3MBTL1 (0.51) L3MBTL1NAMPTHDAC1DYRK1AGAA
SCHEMBL3180689 0.75 L3MBTL1 (0.61) L3MBTL1NAMPTHDAC1CA1CA2
SCHEMBL30625710 0.75 L3MBTL1 (0.51) L3MBTL1NAMPTHDAC1DYRK1AGAA
SCHEMBL359537 0.74 GAA (0.52) GRM2L3MBTL1HPNNAMPTHDAC1
SCHEMBL54834 0.74 EPHX2 (0.55) L3MBTL1NAMPTHDAC1CA1CA2

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-1302463-A1 MEDICINE COMPRISING DICYANOPYRIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-16 EP disclosed