SCHEMBL16273695

SCHEMBL16273695

O=[N+]([O-])c1ccccc1COc1ccc(O)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
KMT2A Q03164 2/20 0.58
MAOB P27338 1/20 0.49
CCR5 P51681 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
ENPP2 Q13822 1/20 0.43
HPGD P15428 3/20 0.43

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
SCHEMBL17616609 0.85 NPC1 (0.57) RAB9ANPC1KMT2AMAOBCCR5
SCHEMBL16273710 0.85 NPC1 (0.54) RAB9ANPC1KMT2AMAOBCCR5
SCHEMBL16273690 0.84 MAOB (0.52) RAB9ANPC1KMT2AMAOBCCR5
SCHEMBL16273698 0.84 MAOB (0.52) RAB9ANPC1KMT2AMAOBCCR5
SCHEMBL16273691 0.84 CCR5 (0.54) RAB9ANPC1KMT2AMAOBCCR5
SCHEMBL18831596 0.84 MRGPRX4 (0.43) RAB9ANPC1KMT2AMRGPRX4ALDH1A1
SCHEMBL18831605 0.83 ALDH1A1 (0.43) RAB9ANPC1KMT2AMRGPRX4ALDH1A1
SCHEMBL16273707 0.82 RAB9A (0.51) RAB9ANPC1KMT2AMAOBCCR5
SCHEMBL17616612 0.81 NPC1 (0.55) RAB9ANPC1KMT2AMAOBCCR5
SCHEMBL16273700 0.81 ATM (0.48) RAB9ANPC1KMT2AMAOBCCR5

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 4 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
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