SCHEMBL16273678

SCHEMBL16273678

COc1cc(-c2ccc(OCc3ccccc3-n3[nH]n(C)c3=O)c(C)c2)nn1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.32
PDE4B Q07343 4/20 0.32
PDE4C Q08493 4/20 0.32
PDE4D Q08499 4/20 0.32
S1PR1 P21453 1/20 0.32
S1PR5 Q9H228 1/20 0.32
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGER1 P34995 1/20 0.31
PARP1 P09874 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
TSHR P16473 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
SCHEMBL17600283 0.85 MRGPRX4 (0.33) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL16385361 0.83 L3MBTL1 (0.37) S1PR1S1PR5MAPTL3MBTL1HPGD
SCHEMBL16385190 0.82 P2RX7 (0.38) S1PR1S1PR5MAPTL3MBTL1HPGD
SCHEMBL16384947 0.81 MRGPRX4 (0.36) S1PR1S1PR5MAPTL3MBTL1HPGD
SCHEMBL16385110 0.80 MRGPRX4 (0.35) S1PR1S1PR5MAPTL3MBTL1HPGD
SCHEMBL16385533 0.78 CTSS (0.42) MRGPRX4
SCHEMBL16385379 0.77 MAPT (0.34) S1PR1S1PR5MAPTL3MBTL1HPGD
SCHEMBL16911198 0.75 MRGPRX4 (0.32) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL16273636 0.74 MRGPRX4 (0.34) S1PR1S1PR5MAPTL3MBTL1PTGER1
SCHEMBL16273740 0.73 CD274 (0.33) S1PR1S1PR5MAPTHPGDPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014192953-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME 住友化学株式会社 (JP) 2014-12-04 WO disclosed