SCHEMBL10140985

SCHEMBL10140985

CC(C)c1csc(-c2ccc(I)s2)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.33
TYK2 P29597 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL890248 0.83 ALDH1A1 (0.44) CCR4TYK2KDM4E
SCHEMBL889357 0.81 CCR4 (0.34) CCR4TYK2
SCHEMBL12869429 0.72 KDM4E (0.58) KDM4E
SCHEMBL12982808 0.69
SCHEMBL10022359 0.68 KDM4E (0.50) TYK2KDM4E
SCHEMBL62767 0.68 SREBF2 (0.50) CCR4KDM4E
SCHEMBL10140509 0.68 FDPS (0.36)
SCHEMBL12180285 0.67 RAB9A (0.53) KDM4E
SCHEMBL12680082 0.66 IDH1 (0.42) CCR4TYK2KDM4E
SCHEMBL533297 0.66 CTSK (0.39) CCR4TYK2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012021704-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-02-16 WO disclosed
WO-2011081918-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC (US) 2011-07-07 WO disclosed
WO-2011031934-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed