SCHEMBL9378519

SCHEMBL9378519

COc1ccc(N2N=C(Cc3ncc[nH]3)CC2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ APP P05067 1/20 0.50
▸ SHMT2 P34897 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ TAAR1 Q96RJ0 3/20 0.36
▸ HTR1A P08908 1/20 0.36

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
SCHEMBL9385358 0.89 GAA (0.45) GAAKMT2AMEN1APPSHMT2
SCHEMBL9378229 0.89 GAA (0.45) GAAKMT2AMEN1APPSHMT2
SCHEMBL9378209 0.88 SHMT2 (0.46) GAAKMT2AMEN1APPSHMT2
SCHEMBL9378626 0.87 SHMT2 (0.45) GAAKMT2AMEN1APPSHMT2
SCHEMBL9379481 0.85 SHMT2 (0.56) GAAKMT2AMEN1APPSHMT2
SCHEMBL9379615 0.84 SHMT2 (0.49) GAAKMT2AMEN1APPSHMT2
SCHEMBL9378235 0.84 SHMT2 (0.42) GAAKMT2AMEN1APPSHMT2
SCHEMBL9379889 0.84 KMT2A (0.49) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9379697 0.84 SHMT2 (0.42) GAAKMT2AMEN1APPSHMT2
SCHEMBL9379259 0.81 TAAR1 (0.41) GAAKMT2AMEN1APPSHMT2

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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