SCHEMBL3812142

SCHEMBL3812142

CC(C)N(C(=O)c1ccc(Cl)cc1Br)c1cc(-c2ccccc2)sc1OC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
GPR27 Q9NS67 1/20 0.33
TP53 P04637 1/20 0.33
ACLY P53396 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3809084 0.90 CYP1A2 (0.39) MAPTALDH1A1HPGD
SCHEMBL3816830 0.89 MAPT (0.35) MAPT
SCHEMBL3812533 0.89 MAPT (0.38) MAPTTP53MEN1ALDH1A1GAA
SCHEMBL3816598 0.89 MAPT (0.35) MAPTMEN1ALDH1A1HPGDKMT2A
SCHEMBL3809821 0.88 CYP11B1 (0.35) MAPTGPR27TP53ACLY
SCHEMBL3807320 0.88 MAPT (0.37) MAPTTP53ACLYMEN1ALDH1A1
SCHEMBL3809457 0.88 MAPT (0.38) MAPTMEN1ALDH1A1GAAHPGD
SCHEMBL3812104 0.87 ACLY (0.39) MAPTTP53ACLYMEN1ALDH1A1
SCHEMBL3807407 0.86 IKBKB (0.36) MAPT
SCHEMBL2157883 0.86 MAPT (0.38) MAPT

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