SCHEMBL9900996

SCHEMBL9900996

CC(=O)C=C1C(=O)Nc2ccc(Cl)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 1.00
IDO1 P14902 3/20 1.00
TDO2 P48775 2/20 1.00
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
LRRK2 Q5S007 6/20 0.61
CDYL2 Q8N8U2 1/20 0.59
CDYL Q9Y232 1/20 0.59
CDY1; CDY1B Q9Y6F8 1/20 0.59
PSEN1 P49768 2/20 0.58
PSEN2 P49810 2/20 0.58
APH1B Q8WW43 2/20 0.58
NCSTN Q92542 2/20 0.58
APH1A Q96BI3 2/20 0.58
PSENEN Q9NZ42 2/20 0.58
RET P07949 1/20 0.54
EGFR P00533 1/20 0.54

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
SCHEMBL9900993 1.00 TGM2 (1.00) TGM2IDO1TDO2ALDH1A1LMNA
SCHEMBL29136962 0.86 TGM2 (0.76) TGM2IDO1TDO2LRRK2CDYL2
SCHEMBL29136960 0.86 TGM2 (0.76) TGM2IDO1TDO2LRRK2CDYL2
SCHEMBL24739854 0.84 TGM2 (0.72) TGM2IDO1TDO2LRRK2CDYL2
SCHEMBL29879570 0.84 TGM2 (0.72) TGM2IDO1TDO2LRRK2CDYL2
SCHEMBL29137069 0.84 TGM2 (0.72) TGM2IDO1TDO2LRRK2CDYL2
SCHEMBL4858391 0.84 TGM2 (0.72) TGM2IDO1TDO2MAPTLRRK2
SCHEMBL4858381 0.84 TGM2 (0.72) TGM2IDO1TDO2MAPTLRRK2
SCHEMBL14446379 0.81 TGM2 (0.68) TGM2IDO1TDO2LRRK2PSEN1
SCHEMBL1534167 0.79 LRRK2 (0.65) TGM2IDO1TDO2MAPTLRRK2

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