SCHEMBL16273690

SCHEMBL16273690

CCc1cc(O)ccc1OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
CCR5 P51681 1/20 0.48
HTR1A P08908 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44

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
SCHEMBL16273698 0.86 MAOB (0.52) MAOBALDH1A1NPC1RAB9AKMT2A
SCHEMBL17616584 0.86 ALDH1A1 (0.49) MAOBALDH1A1NPC1RAB9AKMT2A
SCHEMBL16273691 0.84 CCR5 (0.54) MAOBALDH1A1NPC1RAB9AKMT2A
SCHEMBL16273695 0.84 RAB9A (0.58) MAOBALDH1A1NPC1RAB9AKMT2A
SCHEMBL16273700 0.81 ATM (0.48) MAOBALDH1A1NPC1RAB9AKMT2A
SCHEMBL19987598 0.79 CDK4 (0.48) MAOBALDH1A1RAB9AKMT2AKDM4E
SCHEMBL5594953 0.79 MAOB (0.55) MAOBALDH1A1NPC1RAB9AKMT2A
SCHEMBL10789091 0.78 NPC1 (0.68) MAOBALDH1A1NPC1RAB9AKMT2A
SCHEMBL4953327 0.77 BACE1 (0.50) ALDH1A1HTTTSHR
SCHEMBL16273706 0.77 MAOB (0.51) MAOBALDH1A1NPC1RAB9AKMT2A

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