SCHEMBL3724988

SCHEMBL3724988

CC(C)c1csc(-c2nc3ccccc3[c]c2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.36
DHODH Q02127 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TYK2 P29597 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
NOD2 Q9HC29 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
GRM1 Q13255 1/20 0.30

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
SCHEMBL577982 0.71 CCR4 (0.33) CCR4DHODHTYK2
SCHEMBL2838403 0.70 METAP1 (0.44) CCR4MAPTRAB9AL3MBTL1CYP1A2
SCHEMBL13996109 0.69 ALDH1A1 (0.54) CCR4TYK2MAPTRAB9AL3MBTL1
SCHEMBL577313 0.68 CCR4 (0.39) CCR4TYK2CYP1A2CYP2D6CYP2C9
SCHEMBL62767 0.67 SREBF2 (0.50) CCR4MAPTRAB9AL3MBTL1
SCHEMBL15640643 0.66 TYK2 (0.41) CCR4TYK2MAPTL3MBTL1CYP1A2
SCHEMBL2861979 0.66 CCR4 (0.41) CCR4MAPTRAB9ACYP1A2CYP2D6
SCHEMBL577645 0.66 CCR4 (0.38) CCR4TYK2MAPTRAB9APAX8
SCHEMBL577312 0.66 CCR4 (0.39) CCR4TYK2CYP1A2CYP2D6CYP2C9
SCHEMBL576843 0.65 CCR4 (0.38) CCR4TYK2

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-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO claimed