SCHEMBL9899719

SCHEMBL9899719

O=C1Nc2cc(Cl)ccc2C1=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 0.52
CDYL Q9Y232 1/20 0.52
CDY1; CDY1B Q9Y6F8 1/20 0.52
MAP3K7 O43318 1/20 0.48
TAB1 Q15750 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.46
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46

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
SCHEMBL9899717 1.00 TGM2 (1.00) TGM2CDYL2CDYLCDY1; CDY1BMAP3K7
SCHEMBL9899804 0.91 TGM2 (1.00) TGM2CDYL2CDYLCDY1; CDY1BIDO1
SCHEMBL9899801 0.91 TGM2 (1.00) TGM2CDYL2CDYLCDY1; CDY1BIDO1
SCHEMBL9899676 0.86 TGM2 (1.00) TGM2MAP3K7TAB1MAPT
SCHEMBL9899678 0.86 TGM2 (1.00) TGM2MAP3K7TAB1MAPT
SCHEMBL9900052 0.84 TGM2 (1.00) TGM2MAP3K7TAB1KDM4EALDH1A1
SCHEMBL9900055 0.84 TGM2 (1.00) TGM2MAP3K7TAB1KDM4EALDH1A1
SCHEMBL9901016 0.79 TGM2 (1.00) TGM2CDYL2CDYLCDY1; CDY1BMAP3K7
SCHEMBL9899763 0.79 TGM2 (1.00) TGM2KDM4EMAPT
SCHEMBL9899765 0.79 TGM2 (1.00) TGM2KDM4EMAPT

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