SCHEMBL456105

SCHEMBL456105

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
CHRNA7 P36544 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
SCHEMBL455053 0.81 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL458626 0.81 HTR2A (0.34) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL455137 0.80 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL458933 0.80 KDM1A (0.32) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL458138 0.80
SCHEMBL458615 0.77 KDM1A (0.34) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL7077759 0.76 KDM1A (0.38) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL457575 0.76 KDM1A (0.33) KDM1AMAOAMAOB
SCHEMBL459112 0.75 KDM1A (0.37) KDM1AMAOAMAOBHTR2AHTR2C
SCHEMBL458498 0.74 HTR2A (0.34) HTR2AHTR2CHTR2B

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