SCHEMBL14669348

SCHEMBL14669348

C=C([C@H]1CC[C@H](C)CC1)N(c1cc(C(C)(C)C)sc1C(=O)OC)C1CCC(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 14/20 0.36
MAPK14 Q16539 8/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NR1I2 O75469 2/20 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
SCHEMBL173174 0.91 NR1I2 (0.39) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL9965167 0.91 NR1I2 (0.39) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14669111 0.90 RAF1 (0.37) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12949400 0.83 NR1I2 (0.41) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12949453 0.81 RAF1 (0.38) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL173100 0.81 RAF1 (0.38) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12945313 0.81 RAF1 (0.38) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12520075 0.81 NR1I2 (0.40) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12514339 0.80 NR1I2 (0.48) NR1I2
SCHEMBL9965223 0.80 NR1I2 (0.48) NR1I2

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-2013016499-A1 METHODS FOR PREPARATION OF THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-31 WO disclosed