SCHEMBL3811484

SCHEMBL3811484

CN(C(=O)c1ccc(Cl)cc1)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.43
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OXTR P30559 1/20 0.38
CNR1 P21554 2/20 0.38
GRM1 Q13255 1/20 0.37

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
SCHEMBL3812315 0.91 MAPT (0.40) MAPTTP53
SCHEMBL3811571 0.91 ACLY (0.54) ACLYMAPTTP53
SCHEMBL3816560 0.89 HSD17B1 (0.44) LMNAOXTR
SCHEMBL3811162 0.88 GPBAR1 (0.44) ACLY
SCHEMBL3807545 0.88 HSD17B1 (0.46) ACLY
SCHEMBL3816953 0.86 NR1H4 (0.41) MAPTL3MBTL1OXTR
SCHEMBL3809443 0.85 HTR2C (0.41) MAPTTP53LMNA
SCHEMBL3807286 0.85 CYP1A2 (0.41) ACLY
SCHEMBL3811062 0.84 HSD17B1 (0.43) LMNAGRM1
SCHEMBL3809473 0.84 HSD17B1 (0.49)

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed