SCHEMBL9383573

SCHEMBL9383573

CC1C(=O)N(c2cccnn2)N=C1c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP2A6 P11509 5/20 0.37
▸ CYP2E1 P05181 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2B6 P20813 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ APP P05067 1/20 0.36
▸ MAPT P10636 6/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL9379816 0.85 VHL (0.46) KDM4EL3MBTL1CYP2A6CYP2E1CYP2C9
SCHEMBL9383599 0.83 P4HTM (0.45) KDM4EL3MBTL1CYP2A6CYP2E1CYP2C9
SCHEMBL9379022 0.80 LOX (0.54) KDM4EL3MBTL1APPMAPTMEN1
SCHEMBL9383881 0.80 KDM4E (0.45) KDM4EL3MBTL1CYP2A6CYP2E1CYP2C9
SCHEMBL9379150 0.79 KDM4E (0.56) KDM4EL3MBTL1CYP2A6APPMAPT
SCHEMBL9379582 0.77 MIF (0.46) KDM4EL3MBTL1CYP2C9CYP2C19APP
SCHEMBL9385752 0.77 KDM4E (0.46) KDM4EL3MBTL1CYP2C9CYP2C19APP
SCHEMBL9378591 0.77 KDM4E (0.46) KDM4EL3MBTL1APPMAPTMEN1
SCHEMBL9382849 0.76 KDM4E (0.42) KDM4EL3MBTL1CYP2A6CYP2E1CYP2C9
SCHEMBL9379432 0.75 KMT2A (0.46) KDM4EL3MBTL1MAPTMEN1KMT2A

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
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