SCHEMBL9899676

SCHEMBL9899676

O=C1Nc2cc(Br)ccc2/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
CCNB2 O95067 4/20 0.60
CDK1 P06493 4/20 0.60
CCNB1 P14635 4/20 0.60
CCNB3 Q8WWL7 4/20 0.60
HSP90AA1 P07900 3/20 0.60
CCR6 P51684 1/20 0.60
MAP3K7 O43318 1/20 0.48
TAB1 Q15750 1/20 0.48
MITF O75030 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
MCL1 Q07820 1/20 0.47
NPSR1 Q6W5P4 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
SCHEMBL9899678 1.00 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899765 0.91 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899763 0.91 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899717 0.86 TGM2 (1.00) TGM2MAP3K7TAB1MAPT
SCHEMBL9899719 0.86 TGM2 (1.00) TGM2MAP3K7TAB1MAPT
SCHEMBL9900052 0.84 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9900055 0.84 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899804 0.79 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9899801 0.79 TGM2 (1.00) TGM2CCNB2CDK1CCNB1CCNB3
SCHEMBL9901016 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