SCHEMBL9378229

SCHEMBL9378229

COc1cccc(N2N=C(Cc3ncc[nH]3)CC2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ SHMT2 P34897 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ APP P05067 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PDCD1 Q15116 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ MGLL Q99685 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
SCHEMBL9378519 0.89 GAA (0.57) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9382490 0.87 SHMT2 (0.43) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9379481 0.84 SHMT2 (0.56) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9379259 0.82 TAAR1 (0.41) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9378209 0.81 SHMT2 (0.46) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9385358 0.81 GAA (0.45) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9378321 0.80 TAAR1 (0.41) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9378626 0.79 SHMT2 (0.45) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9379615 0.78 SHMT2 (0.49) GAAKMT2AMEN1SHMT2ALDH1A1
SCHEMBL9378235 0.78 SHMT2 (0.42) GAAKMT2AMEN1SHMT2ALDH1A1

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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