SCHEMBL458401

SCHEMBL458401

COc1[c]c(I)ccc1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.34
BACE1 P56817 1/20 0.34
PDE4B Q07343 4/20 0.33
MAPT P10636 3/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
MITF O75030 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA4 P22748 1/20 0.32
PIN1 Q13526 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
ESR2 Q92731 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL456629 0.79 SQOR (0.39) SQORBACE1PDE4BMAPTPDE4A
SCHEMBL7820403 0.79 PDE4B (0.38) SQORBACE1PDE4BMAPTPDE4A
SCHEMBL455612 0.78 ALDH1A1 (0.38) SQORBACE1PDE4BMAPTPDE4A
SCHEMBL457574 0.78 SQOR (0.38) SQORBACE1PDE4BMAPTPDE4A
SCHEMBL21331773 0.76 BACE1 (0.42) SQORBACE1PDE4BMAPTPDE4A
SCHEMBL456233 0.75 ESR2 (0.38) BACE1PDE4BPDE4APDE4CPDE4D
SCHEMBL456303 0.74 BACE1 (0.36) BACE1ALDH1A1ESR2
SCHEMBL457353 0.73 PDE4D (0.33) SQORBACE1PDE4BMAPTPDE4A
SCHEMBL457181 0.73 ADRB2 (0.33) SQORBACE1PDE4BMAPTPDE4A
SCHEMBL3535486 0.69 ALDH1A1 (0.39) SQORBACE1PDE4BMAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2614053-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-07-17 EP disclosed
WO-2012033225-A1 METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-15 WO disclosed