SCHEMBL9901014

SCHEMBL9901014

Cc1ccc2c(c1)/C(=C\C(=O)c1cccnc1)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 11/20 1.00
CCNB2 O95067 2/20 0.58
CDK1 P06493 2/20 0.58
CCNB1 P14635 2/20 0.58
CCNB3 Q8WWL7 2/20 0.58
HSP90AA1 P07900 2/20 0.54
CCR6 P51684 1/20 0.54
JAK3 P52333 1/20 0.52
CDYL2 Q8N8U2 1/20 0.49
CDYL Q9Y232 1/20 0.49
CDY1; CDY1B Q9Y6F8 1/20 0.49
MAP3K7 O43318 1/20 0.48
TAB1 Q15750 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9901016 1.00 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899763 0.86 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899765 0.86 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899804 0.86 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899801 0.86 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9900052 0.84 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9900055 0.84 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9900907 0.82 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9900914 0.82 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899678 0.79 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3

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