SCHEMBL458498

SCHEMBL458498

FC1(Br)[C]=CC(c2ccccc2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34

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
SCHEMBL457009 0.80 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL458933 0.80 KDM1A (0.32) HTR2AHTR2CHTR2B
SCHEMBL458626 0.78 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL455053 0.78 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL7422826 0.76 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL458065 0.76 KDM1A (0.33) HTR2AHTR2CHTR2B
SCHEMBL458262 0.76 KDM1A (0.30)
SCHEMBL456105 0.74 KDM1A (0.33) HTR2AHTR2CHTR2B
SCHEMBL455137 0.73 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL2390258 0.71 HTR2C (0.32) 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