SCHEMBL8514571

SCHEMBL8514571

CCCCCCCCCNSc1nc2ccccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.53
CYP2C19 P33261 3/20 0.53
CYP2D6 P10635 3/20 0.53
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
FBP1 P09467 2/20 0.51
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
DRD2 P14416 1/20 0.49
ALOX15 P16050 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49

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
SCHEMBL8512130 1.00 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1
SCHEMBL15463349 1.00 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1
SCHEMBL8510381 1.00 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1
SCHEMBL8512674 1.00 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1
SCHEMBL8511312 1.00 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1
SCHEMBL30287610 1.00 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1
SCHEMBL8512840 1.00 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1
SCHEMBL3441209 1.00 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1
SCHEMBL31279597 1.00 CYP1A2 (0.53) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1
SCHEMBL30287604 0.99 CYP1A2 (0.54) CYP1A2CYP2C19CYP2D6CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2439236-B1 RUBBER COMPOSITION BRIDGESTONE CORP (JP) 2014-10-01 EP disclosed
CN-102803372-A Rubber composition BRIDGESTONE CORP 2012-11-28 CN disclosed
US-20120136102-A1 RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2012-05-31 US disclosed