SCHEMBL16273623

SCHEMBL16273623

O=C=Nc1ccccc1COc1ccc(O)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CD274 Q9NZQ7 7/20 0.38
PDCD1 Q15116 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
GRM4 Q14833 1/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FOLH1 Q04609 1/20 0.34
HPGD P15428 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL17616601 0.86 MAPT (0.45) ALDH1A1SMN1; SMN2RAB9AMEN1LMNA
SCHEMBL16273633 0.84 MRGPRX4 (0.46) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL16273629 0.84 GABRA1 (0.40) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL16273619 0.84 FFAR4 (0.41) CD274FFAR4MRGPRX4
SCHEMBL16273611 0.81 SLC6A4 (0.39) FFAR4MRGPRX4
SCHEMBL17677487 0.75 MRGPRX4 (0.45) SMN1; SMN2RAB9ANPC1MAPTHTT
SCHEMBL16273632 0.75 CYP3A4 (0.37) ALDH1A1CD274RAB9AMAPTFFAR4
SCHEMBL17616618 0.75 CYP3A4 (0.42) ALDH1A1CD274RAB9AMAPTFFAR4
SCHEMBL17616643 0.75 L3MBTL1 (0.43) SMN1; SMN2RAB9ALMNAKMT2AMAPK1
SCHEMBL16273709 0.75 F2 (0.40) ALDH1A1CD274PDCD1SMN1; SMN2RAB9A

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-3006440-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME Sumitomo Chemical Company Limited (JP) 2016-04-13 EP disclosed
WO-2015016373-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR 住友化学株式会社 (JP) 2015-02-05 WO disclosed
WO-2014192953-A1 TETRAZOLINONE COMPOUND AND APPLICATION OF SAME 住友化学株式会社 (JP) 2014-12-04 WO disclosed