SCHEMBL256091

SCHEMBL256091

CCOc1ccc(NC(=O)N2CCCC2)cc1CC

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.61
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
KMT2A Q03164 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HTT P42858 3/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ABL1 P00519 1/20 0.51
POLB P06746 1/20 0.51
RIN1 Q13671 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 1/20 0.49

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
SCHEMBL256088 0.99 L3MBTL1 (0.60) L3MBTL1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL257067 0.89 SMN1; SMN2 (0.64) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL16638506 0.85 L3MBTL1 (0.59) L3MBTL1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL16638507 0.84 L3MBTL1 (0.57) L3MBTL1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL30088674 0.82 L3MBTL1 (0.55) L3MBTL1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL257065 0.81 TDP1 (0.60) NPC1KMT2AALDH1A1MEN1POLB
SCHEMBL10777343 0.80 TDP1 (0.55) NPC1RAB9AKMT2ASMN1; SMN2MAPT
SCHEMBL5953095 0.79 TDP1 (0.70) RAB9AKMT2AALDH1A1MAPTMEN1
SCHEMBL13612755 0.76 RAB9A (0.72) L3MBTL1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL11439258 0.75 TDP1 (0.47) NPC1RAB9AKMT2ASMN1; SMN2MAPT

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
WO-2012028578-A1 SUBSTITUTED FUSED PYRIMIDINONES AND DIHYDROPYRIMIDINONES BAYER CROPSCIENCE AG (DE) 2012-03-08 WO disclosed