SCHEMBL8510596

SCHEMBL8510596

CCC(C)(C)NSc1nc2c(OC)cc(OC)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.41
PDK1 Q15118 1/20 0.35
PPARA Q07869 2/20 0.34
MAPT P10636 5/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 3/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
CSF1R P07333 3/20 0.31
DUSP3 P51452 2/20 0.31
PKM P14618 1/20 0.31
PDGFRB P09619 1/20 0.30
KIT P10721 1/20 0.30
PDGFRA P16234 1/20 0.30
NPC1 O15118 4/20 0.30
RAB9A P51151 4/20 0.30
TP53 P04637 2/20 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
SCHEMBL8513176 0.89 F2RL3 (0.39) F2RL3PDK1PPARAMAPTLMNA
SCHEMBL8511734 0.89 F2RL3 (0.40) F2RL3PDK1PPARAMAPTLMNA
SCHEMBL8511853 0.87 F2RL3 (0.39) F2RL3PDK1PPARAMAPK1ALDH1A1
SCHEMBL8511842 0.77 F2RL3 (0.39) F2RL3PDK1PPARANPC1RAB9A
SCHEMBL8511932 0.77 F2RL3 (0.40) F2RL3PDK1MAPTLMNAMAPK1
SCHEMBL1820930 0.75 F2RL3 (0.41) F2RL3PDK1PPARAMAPTLMNA
SCHEMBL8510074 0.74 F2RL3 (0.40) F2RL3PDK1PPARAMAPTMAPK1
SCHEMBL8513065 0.74 F2RL3 (0.40) F2RL3PDK1PPARAMAPTLMNA
SCHEMBL1820157 0.73 F2RL3 (0.40) F2RL3PDK1PPARAMAPTLMNA
SCHEMBL1821962 0.73 F2RL3 (0.43) F2RL3PDK1PPARAMAPTALDH1A1

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