SCHEMBL990018

SCHEMBL990018

CN1CCN(c2cncc(CC(=O)O)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
CHEK1 O14757 3/20 0.48
CYP11B2 P19099 2/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
AOC3 Q16853 1/20 0.42
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
PLOD1 Q02809 1/20 0.40
PIM2 Q9P1W9 1/20 0.39
RIPK2 O43353 1/20 0.39

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
SCHEMBL990623 0.87 NOS3 (0.51) NOS3NOS1CHEK1CYP11B2NPC1
SCHEMBL20424980 0.86 HDAC8 (0.45) CYP11B2AOC3
SCHEMBL990712 0.81 NOS3 (0.44) NOS3NOS1CHEK1CYP11B2NPC1
SCHEMBL19087150 0.80 NOS3 (0.54) NOS3NOS1CHEK1CYP11B2
SCHEMBL989973 0.78 NPC1 (0.41) NOS3NOS1CHEK1CYP11B2NPC1
SCHEMBL20425007 0.78 ITGB3 (0.64) NPC1RAB9AITGB3ITGA2BPLOD2
SCHEMBL28739636 0.77 ITGB3 (0.62) NPC1RAB9AITGB3ITGA2BPLOD2
SCHEMBL2371447 0.76 ITGB3 (0.63) NPC1RAB9AITGB3ITGA2B
SCHEMBL23432683 0.75 NOS3 (0.50) NOS3NOS1CHEK1CYP11B2
SCHEMBL27767066 0.74 HDAC3 (0.50) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2270001-A1 Indolylmaleimide derivatives as PKC inhibitors Novartis AG (CH) 2011-01-05 EP disclosed
CN-101933926-A Indolylmaleimde derivatives as PKC inhibitors NOVARTIS AG 2011-01-05 CN disclosed
CN-1910173-B Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG 2010-06-09 CN disclosed
CN-1910173-A Indolylmaleimide derivatives as PKC inhibitors NOVARTIS AG (CH) 2007-02-07 CN disclosed