SCHEMBL458615

SCHEMBL458615

CCC1(C)[C]=CC(c2ccccc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.34
MAOA P21397 10/20 0.34
MAOB P27338 10/20 0.34
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 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
SCHEMBL459112 0.90 KDM1A (0.37) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL457612 0.79 KDM1A (0.33) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL458065 0.79 KDM1A (0.33) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL456105 0.77 KDM1A (0.33) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL458626 0.77 HTR2A (0.34) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL456867 0.76 TSHR (0.32) KDM1AMAOAMAOB
SCHEMBL458933 0.76 KDM1A (0.32) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL458036 0.75 KDM1A (0.34) KDM1AMAOAMAOB
SCHEMBL456799 0.73 KDM1A (0.36) KDM1AMAOAMAOB
SCHEMBL457575 0.72 KDM1A (0.33) KDM1AMAOAMAOB

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