SCHEMBL17875158

SCHEMBL17875158

Brc1ccccc1-c1cccc(-c2ccc3sc4ccccc4c3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
GPR3 P46089 1/20 0.42
PIM3 Q86V86 1/20 0.38
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
F9 P00740 1/20 0.35
CYP1A2 P05177 1/20 0.35
PTPN1 P18031 3/20 0.34
PTPN7 P35236 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN12 Q05209 1/20 0.33
PTPN22 Q9Y2R2 1/20 0.33
KDM4E B2RXH2 1/20 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
SCHEMBL19395164 0.94 GPR3 (0.48) ALOX5ALDH1A1MAPK1GPR3PIM3
SCHEMBL30513581 0.94 GPR3 (0.48) ALOX5ALDH1A1MAPK1GPR3PIM3
SCHEMBL15836021 0.85 GPR3 (0.58) ALOX5ALDH1A1MAPK1GPR3PIM3
SCHEMBL15855169 0.85 GPR3 (0.58) ALOX5ALDH1A1MAPK1GPR3PIM3
SCHEMBL16582762 0.85 GPR3 (0.58) ALOX5ALDH1A1MAPK1GPR3PIM3
SCHEMBL15855442 0.85 GPR3 (0.58) ALOX5ALDH1A1MAPK1GPR3PIM3
SCHEMBL15835995 0.85 GPR3 (0.58) ALOX5ALDH1A1MAPK1GPR3PIM3
SCHEMBL15855168 0.85 GPR3 (0.58) ALOX5ALDH1A1MAPK1GPR3PIM3
SCHEMBL15855164 0.85 GPR3 (0.58) ALOX5ALDH1A1MAPK1GPR3PIM3
SCHEMBL15836006 0.85 GPR3 (0.58) ALOX5ALDH1A1MAPK1GPR3PIM3

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
WO-2016102413-A1 PROCESS FOR THE MANUFACTURE OF SPIRODIBENZOSUBERANE COMPOUNDS SOLVAY SA (BE) 2016-06-30 WO disclosed
EP-3037413-A1 Process for the manufacture of dibenzosuberane compounds Solvay SA (BE) 2016-06-29 EP disclosed