SCHEMBL9899804

SCHEMBL9899804

O=C1Nc2ccc(Cl)cc2C1=CC(=O)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 14/20 1.00
CDYL2 Q8N8U2 1/20 0.63
CDYL Q9Y232 1/20 0.63
CDY1; CDY1B Q9Y6F8 1/20 0.63
IDO1 P14902 2/20 0.58
TDO2 P48775 2/20 0.58
CCNB2 O95067 1/20 0.54
CDK1 P06493 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CCNB1 P14635 1/20 0.54
CCR6 P51684 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
JAK3 P52333 1/20 0.52

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
SCHEMBL9899801 1.00 TGM2 (1.00) TGM2CDYL2CDYLCDY1; CDY1BIDO1
SCHEMBL9899719 0.91 TGM2 (1.00) TGM2CDYL2CDYLCDY1; CDY1BIDO1
SCHEMBL9899717 0.91 TGM2 (1.00) TGM2CDYL2CDYLCDY1; CDY1BIDO1
SCHEMBL9899765 0.86 TGM2 (1.00) TGM2CCNB2CDK1HSP90AA1CCNB1
SCHEMBL9901016 0.86 TGM2 (1.00) TGM2CDYL2CDYLCDY1; CDY1BCCNB2
SCHEMBL9899763 0.86 TGM2 (1.00) TGM2CCNB2CDK1HSP90AA1CCNB1
SCHEMBL9901014 0.86 TGM2 (1.00) TGM2CDYL2CDYLCDY1; CDY1BCCNB2
SCHEMBL9900052 0.84 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9900055 0.84 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9900914 0.82 TGM2 (1.00) TGM2CCNB2CDK1HSP90AA1CCNB1

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-2012078519-A2 3-ACYLIDENE-2-OXOINDOLE DERIVATIVES FOR INHIBITION OF TRANSGLUTAMINASE 2 NUMERATE, INC. (US) 2012-06-14 WO disclosed