SCHEMBL7782887

SCHEMBL7782887

Brc1ccc2c(c1)CC=C[CH]2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.34
ADRA2A P08913 3/20 0.34
ADRA2B P18089 3/20 0.34
ADRA2C P18825 3/20 0.34
ASIC3 Q9UHC3 1/20 0.33
BRD4 O60885 1/20 0.33
METAP1 P53582 1/20 0.32
SRD5A1 P18405 2/20 0.31
TDP2 O95551 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 1/20 0.31
KDM1A O60341 2/20 0.30
SRD5A2 P31213 1/20 0.30

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
SCHEMBL15351968 0.83 TRPA1 (0.35) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL1478133 0.78 PNMT (0.35) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL2809898 0.77 CYP1A2 (0.33) METAP1SRD5A1PARP10PARP11
SCHEMBL3839016 0.75
SCHEMBL6832591 0.75 HTR2A (0.35) PNMTADRA2AADRA2BADRA2CMETAP1
SCHEMBL3861910 0.75 DRD2 (0.36)
SCHEMBL4267722 0.72 ALDH1A1 (0.37)
SCHEMBL5064665 0.71 TDP2 (0.37) SRD5A1TDP2PARP10PARP11KDM1A
SCHEMBL25892628 0.70 PNMT (0.43) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL4629864 0.69 HTR2A (0.35) ADRA2AADRA2C

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-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
EP-2841429-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES Sumitomo Chemical Company Limited (JP) 2015-03-04 EP disclosed
WO-2013162072-A1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
WO-2013162077-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-10-31 WO disclosed
EP-1137641-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-04 EP disclosed
WO-2000034249-A1 PROCESS FOR PREPARING PYRIDAZIN-3-ON DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-06-15 WO disclosed