SCHEMBL3475642

SCHEMBL3475642

NC(=O)c1cccc(SC(Cl)(Cl)Cl)c1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.42
BCAT2 O15382 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
METAP2 P50579 1/20 0.35
GAA P10253 1/20 0.35
PARP1 P09874 7/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
PDPK1 O15530 1/20 0.34
LMNA P02545 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
MAP4K4 O95819 1/20 0.33

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
SCHEMBL466296 0.74 KDM4E (0.54) SIRT1BCAT2KDM4EALDH1A1MAPT
SCHEMBL10909866 0.73 KDM4E (0.41) BCAT2KDM4EALDH1A1MAPTHPGD
SCHEMBL402013 0.71 BCAT2 (0.56) SIRT1BCAT2KDM4EALDH1A1MAPT
SCHEMBL1135187 0.70 ALDH1A1 (0.52) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL11215370 0.70 ALDH1A1 (0.45) SIRT1BCAT2KDM4EALDH1A1MAPT
SCHEMBL6066755 0.69 KDM4E (0.48) SIRT1BCAT2KDM4EALDH1A1MAPT
SCHEMBL11184702 0.68 CA2 (0.47) SIRT1KDM4EMAPTHPGDGAA
SCHEMBL16925206 0.68 SIRT1 (0.41) SIRT1KDM4EALDH1A1MAPTHPGD
SCHEMBL10883264 0.67 SIRT1 (0.38) SIRT1KDM4EALDH1A1MAPTHPGD
SCHEMBL7093585 0.67 ALDH1A1 (0.50) SIRT1BCAT2KDM4EALDH1A1MAPT

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-2010019649-A2 ACTIVE POLYMER COMPOSITIONS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-02-18 WO disclosed