SCHEMBL9377633

SCHEMBL9377633

O=C(O)c1ccc(N2N=C(Cc3ncc[nH]3)CC2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ SHMT2 P34897 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KAT8 Q9H7Z6 7/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL9379481 0.88 SHMT2 (0.56) POLBSHMT2GAAALDH1A1L3MBTL1
SCHEMBL9379697 0.86 SHMT2 (0.42) POLBSHMT2GAAALDH1A1L3MBTL1
SCHEMBL9379666 0.86 GAA (0.43) POLBSHMT2GAAALDH1A1L3MBTL1
SCHEMBL9378209 0.85 SHMT2 (0.46) SHMT2GAAALDH1A1L3MBTL1KDM4E
SCHEMBL9382005 0.85 MAPT (0.48) POLBSHMT2GAAALDH1A1L3MBTL1
SCHEMBL9378235 0.84 SHMT2 (0.42) SHMT2GAAALDH1A1L3MBTL1KDM4E
SCHEMBL9379889 0.84 KMT2A (0.49) SHMT2GAAALDH1A1L3MBTL1KDM4E
SCHEMBL9379615 0.82 SHMT2 (0.49) SHMT2GAAALDH1A1L3MBTL1KDM4E
SCHEMBL9378519 0.81 GAA (0.57) POLBSHMT2GAAALDH1A1L3MBTL1
SCHEMBL9385358 0.80 GAA (0.45) POLBSHMT2GAAALDH1A1L3MBTL1

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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