SCHEMBL8790381

SCHEMBL8790381

O=C1CC(c2cccnc2)=NN1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 1.00
KMT2A Q03164 6/20 1.00
MAPT P10636 5/20 1.00
KDM4E B2RXH2 2/20 1.00
LMNA P02545 1/20 0.60
APP P05067 2/20 0.59
GAA P10253 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CD274 Q9NZQ7 4/20 0.54
PDCD1 Q15116 3/20 0.54
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
CHRM1 P11229 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
DRD3 P35462 1/20 0.50

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
SCHEMBL9382929 0.91 MEN1 (0.84) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL9382119 0.89 MAPT (0.80) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL9380509 0.87 MEN1 (0.78) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL9383063 0.87 MAPT (0.78) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL9379456 0.87 MEN1 (0.78) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL9380192 0.87 MEN1 (0.78) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL9382180 0.87 KMT2A (0.76) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL9380100 0.86 KMT2A (0.76) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL2604371 0.86 MEN1 (0.74) MEN1KMT2AMAPTKDM4EAPP
SCHEMBL9383506 0.85 MAPT (0.74) MEN1KMT2AMAPTKDM4ELMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63130592-A None JP disclosed
US-5639776-A CROP PESTICIDE; NONPHYTOTOXIC, KIDNEY BEANS, ORANGES OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-17 US disclosed
EP-0751130-A1 4,5-DIHYDROPYRAZOLE-5-THIONE DERIVATIVES AND ACARICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-01-02 EP disclosed
EP-0269030-B1 Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI CHEM IND (JP) 1994-05-04 EP disclosed
US-5089515-A Antiischemic agents; pyrazolone compounds MITSUBISHI KASEI CORPORATION (JP) 1992-02-18 US disclosed
US-4990619-A Cardiovascular disorders, antiischemic agents MITSUBISHI KASEI CORPORATION (JP) 1991-02-05 US disclosed
US-4906644-A Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI KASEI CORPORATION (JP) 1990-03-06 US disclosed
JP-S63130592-A AGENT FOR SUPPRESSING FORMATION OF LIPID PEROXIDE MITSUBISHI KASEI CORP 1988-06-02 JP disclosed
EP-0269030-A2 Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI KASEI CORPORATION (JP) 1988-06-01 EP disclosed