SCHEMBL9380100

SCHEMBL9380100

O=C1CC(c2cccnc2)=NN1c1cccc(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.76
MAPT P10636 4/20 0.76
MEN1 O00255 4/20 0.76
KDM4E B2RXH2 3/20 0.76
LMNA P02545 2/20 0.72
GAA P10253 3/20 0.57
APP P05067 1/20 0.51
CD274 Q9NZQ7 4/20 0.45
PDCD1 Q15116 3/20 0.45
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL9383063 0.88 MAPT (0.78) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL8790381 0.86 MEN1 (1.00) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9383506 0.86 MAPT (0.74) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9383200 0.86 MAPT (0.74) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL2201836 0.85 MAPT (0.64) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9379683 0.84 KMT2A (0.70) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9382929 0.83 MEN1 (0.84) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9378231 0.83 MAPT (0.69) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9383446 0.83 KMT2A (0.69) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9382464 0.83 KMT2A (0.65) KMT2AMAPTMEN1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0269030-A2 Lipid-peroxide formation inhibiting composition and novel compounds useful therefor MITSUBISHI KASEI CORPORATION (JP) 1988-06-01 EP disclosed