SCHEMBL457300

SCHEMBL457300

COc1cc(-c2ccccc2)ccc1C1CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
HTR2C P28335 3/20 0.47
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FPR2 P25090 1/20 0.42

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
SCHEMBL20923971 0.85 KDM1A (0.68) KDM1AMAOAHTR2CPDE4APDE4B
SCHEMBL458343 0.77 NOTUM (0.48) KDM1AHTR2C
SCHEMBL5961843 0.76 CYP3A4 (0.53) HTR2CKMT2AMEN1KDM4EALDH1A1
SCHEMBL1515163 0.75 HTR2C (0.75) HTR2CKMT2AMEN1
SCHEMBL4533772 0.75 L3MBTL1 (0.62) PDE4AKMT2AMEN1KDM4EALDH1A1
SCHEMBL23268487 0.74 MEN1 (0.58) HTR2CKMT2AMEN1KDM4EALDH1A1
SCHEMBL3692141 0.74 MEN1 (0.58) HTR2CKMT2AMEN1KDM4EALDH1A1
SCHEMBL12180448 0.74 ACHE (0.54) HTR2CKMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL31172738 0.74 MEN1 (0.58) HTR2CKMT2AMEN1KDM4EALDH1A1
SCHEMBL18123010 0.73 HTR2C (0.43) HTR2CKMT2AMEN1KDM4EALDH1A1

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