SCHEMBL458626

SCHEMBL458626

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
KDM1A O60341 4/20 0.33
MAOA P21397 4/20 0.33
MAOB P27338 4/20 0.33
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
SCHEMBL456105 0.81 KDM1A (0.33) HTR2AHTR2CHTR2BKDM1AMAOA
SCHEMBL458933 0.80 KDM1A (0.32) HTR2AHTR2CHTR2BKDM1AMAOA
SCHEMBL458498 0.78 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL455053 0.78 HTR2A (0.34) HTR2AHTR2CHTR2B
SCHEMBL458615 0.77 KDM1A (0.34) HTR2AHTR2CHTR2BKDM1AMAOA
SCHEMBL457575 0.76 KDM1A (0.33) KDM1AMAOAMAOB
SCHEMBL459112 0.75 KDM1A (0.37) HTR2AHTR2CHTR2BKDM1AMAOA
SCHEMBL455137 0.73 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL457009 0.73 HTR2A (0.30) HTR2AHTR2CHTR2B
SCHEMBL457612 0.73 KDM1A (0.33) HTR2AHTR2CHTR2BKDM1AMAOA

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