SCHEMBL16273698

SCHEMBL16273698

Cc1cc(O)ccc1OCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 4/20 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
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
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
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL17616586 0.88 NPC1 (0.53) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL16273690 0.86 MAOB (0.52) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL16273706 0.85 MAOB (0.51) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL20425117 0.85 CCR5 (0.58) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL18831584 0.85 ALDH1A1 (0.41) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL17616635 0.85 MAOB (0.52) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL7598113 0.84 HTR1A (0.55) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL16273691 0.84 CCR5 (0.54) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL16273695 0.84 RAB9A (0.58) MAOBNPC1RAB9AKMT2AALDH1A1
SCHEMBL18831428 0.83 TSHR (0.43) NPC1RAB9AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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