SCHEMBL6806423

SCHEMBL6806423

O=CCSc1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
DAO P14920 1/20 0.42
TERT O14746 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
PPARD Q03181 1/20 0.35
HAO1 Q9UJM8 1/20 0.35
GRM2 Q14416 2/20 0.35
GRM3 Q14832 2/20 0.35
AHR P35869 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
FBP1 P09467 1/20 0.34
PYGL P06737 1/20 0.34
IDO1 P14902 1/20 0.33
CYP1A2 P05177 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
SCHEMBL27406257 0.80 DAO (0.39) ALDH1A1DAOTDP1HTTNPSR1
SCHEMBL6806413 0.77 HDAC3 (0.47) ALDH1A1DAOHTTMAPTIDO1
SCHEMBL9515929 0.76 TDP1 (0.45) ALDH1A1DAOTDP1HTTNPSR1
SCHEMBL9696956 0.74 DAO (0.42) DAOTDP1HTTNPSR1LMNA
SCHEMBL6496327 0.72 TP53 (0.44) DAOTDP1HTTNPSR1LMNA
SCHEMBL7769508 0.72 DAO (0.42) ALDH1A1DAOTDP1HTTNPSR1
SCHEMBL10619029 0.72 ANPEP (0.50) ALDH1A1LMNAMAPT
SCHEMBL5322371 0.72 GRM5 (0.40) ALDH1A1TERTTDP1LMNAMAPT
SCHEMBL6803138 0.71 KMT2A (0.36) ALDH1A1
SCHEMBL6815592 0.71 PNMT (0.47) DAOTDP1HTTNPSR1HAO1

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-2004091724-A1 ANTHRANILIC ACID DERIVATIVES USEFUL IN TREATING INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2004-10-28 WO claimed