SCHEMBL8513176

SCHEMBL8513176

CCCCC(C)(C)NSc1nc2c(OC)cc(OC)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 2/20 0.39
MAPT P10636 4/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
ACAT1 P24752 1/20 0.37
SOAT1 P35610 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDK1 Q15118 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
PPARA Q07869 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 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
SCHEMBL8510596 0.89 F2RL3 (0.41) F2RL3MAPTTSHRKDM4ETP53
SCHEMBL8511734 0.86 F2RL3 (0.40) F2RL3MAPTALDH1A1KMT2APDK1
SCHEMBL8511853 0.84 F2RL3 (0.39) F2RL3TP53ALOX15ALDH1A1PDK1
SCHEMBL8511932 0.81 F2RL3 (0.40) F2RL3MAPTTSHRKDM4ETP53
SCHEMBL1820704 0.76 F2RL3 (0.39) F2RL3MAPTTSHRKDM4ETP53
SCHEMBL8511842 0.74 F2RL3 (0.39) F2RL3PDK1PPARA
SCHEMBL1820157 0.73 F2RL3 (0.40) F2RL3MAPTALDH1A1PDK1PPARA
SCHEMBL1820930 0.72 F2RL3 (0.41) F2RL3MAPTALDH1A1PDK1PPARA
SCHEMBL8512794 0.72 ALDH1A1 (0.41) MAPTTSHRKDM4ETP53ALOX15
SCHEMBL8510074 0.71 F2RL3 (0.40) F2RL3MAPTTSHRKDM4ETP53

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