SCHEMBL16273626

SCHEMBL16273626

Cc1cc(OCc2ccccc2[N+](=O)[O-])c(C)c(F)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
HTR1A P08908 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
CCR5 P51681 1/20 0.42
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDCD1 Q15116 6/20 0.40
CD274 Q9NZQ7 6/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL17616632 0.89 MAOB (0.47) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL16273625 0.83 MAOB (0.49) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL17616614 0.83 NPC1 (0.48) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL16273706 0.80 MAOB (0.51) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL16273614 0.80 MAOB (0.48) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL17616635 0.79 MAOB (0.52) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL16273698 0.79 MAOB (0.52) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL16273697 0.79 PKM (0.36) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL16273631 0.79 MAOB (0.47) MAOBHTR1AADRA1DADRA1AADRA1B
SCHEMBL16273613 0.78 MRGPRX4 (0.52) ALDH1A1MAPTMAPK1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
US-9675072-B2 Tetrazolinone compound and application of same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-13 US disclosed
EP-3029030-A1 TETRAZOLINONE COMPOUND, AND USE THEREFOR Sumitomo Chemical Company, Limited (JP) 2016-06-08 EP disclosed
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