SCHEMBL8510074

SCHEMBL8510074

COc1cc(OC)c2nc(SNCCC(C)C)sc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.40
PPARA Q07869 3/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
PDK1 Q15118 1/20 0.35
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
KDM4E B2RXH2 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 4/20 0.32
PDE10A Q9Y233 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
MEN1 O00255 2/20 0.31
TDP2 O95551 1/20 0.31
FGB P02675 1/20 0.31

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
SCHEMBL8511932 0.83 F2RL3 (0.40) F2RL3ALDH1A1PDK1HSP90AA1HSP90AB1
SCHEMBL8513065 0.81 F2RL3 (0.40) F2RL3PPARAALDH1A1SMN1; SMN2PDK1
SCHEMBL8511853 0.79 F2RL3 (0.39) F2RL3PPARAALDH1A1SMN1; SMN2PDK1
SCHEMBL8511842 0.76 F2RL3 (0.39) F2RL3PPARAPDK1RAB9ANPC1
SCHEMBL8510596 0.74 F2RL3 (0.41) F2RL3PPARAALDH1A1SMN1; SMN2PDK1
SCHEMBL1821957 0.74 F2RL3 (0.39) F2RL3PPARAPDK1PDE10A
SCHEMBL8511734 0.73 F2RL3 (0.40) F2RL3PPARAALDH1A1SMN1; SMN2PDK1
SCHEMBL8513176 0.71 F2RL3 (0.39) F2RL3PPARAALDH1A1SMN1; SMN2PDK1
SCHEMBL1821249 0.69 F2RL3 (0.41) F2RL3PPARAPDK1
SCHEMBL1820488 0.69 F2RL3 (0.39) F2RL3PPARAALDH1A1SMN1; SMN2PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439236-B1 RUBBER COMPOSITION BRIDGESTONE CORP (JP) 2014-10-01 EP disclosed
US-20120136102-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2012-05-31 US disclosed