SCHEMBL19909873

SCHEMBL19909873

CN(N)c1cccc(Cl)c1CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.41
TAAR1 Q96RJ0 2/20 0.39
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.33
AKR1B1 P15121 1/20 0.33
NISCH Q9Y2I1 2/20 0.33
DPP4 P27487 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MAOA P21397 1/20 0.32

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
SCHEMBL22038203 0.81 AOC3 (0.45) AOC3TAAR1HTTSMN1; SMN2LMNA
SCHEMBL20195464 0.79 TAAR1 (0.32) TAAR1
SCHEMBL18831297 0.79 HTR1D (0.32) TAAR1LMNAGAACYP3A4MAPK1
SCHEMBL18831732 0.79 HTT (0.39) AOC3TAAR1HTTSMN1; SMN2LMNA
SCHEMBL19006777 0.78
SCHEMBL18831542 0.78 KDM4E (0.40) AOC3TAAR1SMN1; SMN2GAA
SCHEMBL18831302 0.76 GABRA1 (0.41) TAAR1HTR1ACYP2C19HIF1A
SCHEMBL18831567 0.75 AOC3 (0.40) AOC3TAAR1SMN1; SMN2LMNACYP3A4
SCHEMBL20342845 0.75
SCHEMBL9770 0.75 TAAR1 (0.50) TAAR1HTTSMN1; SMN2LMNANPC1

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
EP-3059235-B1 TETRAZOLINONE DERIVATIVES AND THEIR USE FOR CONTROLLING PESTS SUMITOMO CHEMICAL CO (JP) 2020-10-28 EP disclosed
EP-2990404-B1 TETRAZOLINONE COMPOUND AND USE OF SAME SUMITOMO CHEMICAL CO (JP) 2020-05-27 EP disclosed
EP-3029030-B1 TETRAZOLINONE COMPOUND, AND USE THEREFOR SUMITOMO CHEMICAL CO (JP) 2019-09-04 EP disclosed
EP-2927218-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-07-04 EP disclosed
EP-3025585-B1 PLANT DISEASE CONTROL COMPOSITION AND ITS USE SUMITOMO CHEMICAL CO (JP) 2018-02-28 EP disclosed