SCHEMBL9975902

SCHEMBL9975902

COC(=O)c1sc(C(C)(C)C)cc1C1=C(C2CCC(C)CC2)CNCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 15/20 0.41
MAPK14 Q16539 8/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.33
PKM P14618 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
SCHEMBL9975802 0.85 CHRM3 (0.30)
SCHEMBL10365296 0.84 NR1I2 (0.35)
SCHEMBL10382563 0.81 RAF1 (0.31) RAF1
SCHEMBL9941709 0.81 KDM4E (0.46) MAPT
SCHEMBL10382630 0.81 RAF1 (0.41) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL10365347 0.81 IKBKB (0.33)
SCHEMBL9975780 0.79 RAF1 (0.39) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL9975831 0.78
SCHEMBL10366812 0.77 NR1I2 (0.34)
SCHEMBL10383068 0.73 CHRM3 (0.39) RAF1L3MBTL1

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-2012083105-A1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL DISCOVERY, INC. (US) 2012-06-21 WO disclosed