SCHEMBL9900907

SCHEMBL9900907

O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C\C(=O)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 1.00
GSK3B P49841 4/20 0.67
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
PDGFRB P09619 1/20 0.50
JAK3 P52333 1/20 0.50
CCNB2 O95067 1/20 0.50
CDK1 P06493 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CCNB1 P14635 1/20 0.50
CCR6 P51684 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
NOX4 Q9NPH5 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
SCHEMBL9900914 1.00 TGM2 (1.00) TGM2GSK3BALDH1A1LMNAMAPT
SCHEMBL9901016 0.82 TGM2 (1.00) TGM2JAK3CCNB2CDK1HSP90AA1
SCHEMBL9899765 0.82 TGM2 (1.00) TGM2MAPTJAK3CCNB2CDK1
SCHEMBL9901014 0.82 TGM2 (1.00) TGM2JAK3CCNB2CDK1HSP90AA1
SCHEMBL9899804 0.82 TGM2 (1.00) TGM2JAK3CCNB2CDK1HSP90AA1
SCHEMBL9899801 0.82 TGM2 (1.00) TGM2JAK3CCNB2CDK1HSP90AA1
SCHEMBL9899763 0.82 TGM2 (1.00) TGM2MAPTJAK3CCNB2CDK1
SCHEMBL9900055 0.81 TGM2 (1.00) TGM2ALDH1A1LMNAMAPTCCNB2
SCHEMBL9900052 0.81 TGM2 (1.00) TGM2ALDH1A1LMNAMAPTCCNB2
SCHEMBL13080906 0.80 GSK3B (1.00) TGM2GSK3BMAPTPDGFRBJAK3

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