SCHEMBL457575

SCHEMBL457575

CC1(C2CC2)[C]=CC(c2ccccc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.33
MAOA P21397 5/20 0.33
MAOB P27338 5/20 0.33
TRPA1 O75762 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
SCHEMBL458036 0.77 KDM1A (0.34) KDM1AMAOAMAOB
SCHEMBL458626 0.76 HTR2A (0.34) KDM1AMAOAMAOB
SCHEMBL456105 0.76 KDM1A (0.33) KDM1AMAOAMAOB
SCHEMBL458933 0.75 KDM1A (0.32) KDM1AMAOAMAOB
SCHEMBL458615 0.72 KDM1A (0.34) KDM1AMAOAMAOB
SCHEMBL459112 0.70 KDM1A (0.37) KDM1AMAOAMAOB
SCHEMBL458498 0.69 HTR2A (0.34)
SCHEMBL455053 0.69 HTR2A (0.34)
SCHEMBL455137 0.68 HTR2A (0.30)
SCHEMBL457009 0.68 HTR2A (0.30)

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