SCHEMBL9377622

SCHEMBL9377622

O=C(O)c1ccc(N2N=C(Cn3ccnc3)CC2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 14/20 0.47
▸ POLB P06746 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP19A1 P11511 2/20 0.44
▸ ADH5 P11766 1/20 0.44
▸ SHMT2 P34897 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9379690 0.86 CYP19A1 (0.47) TBXAS1MEN1KMT2ACYP19A1SHMT2
SCHEMBL9379475 0.86 SHMT2 (0.57) TBXAS1POLBMEN1KMT2ACYP19A1
SCHEMBL9379658 0.86 TBXAS1 (0.51) TBXAS1MEN1LMNAKMT2ACYP19A1
SCHEMBL9378198 0.85 CYP19A1 (0.52) MEN1LMNAKMT2ACYP19A1SHMT2
SCHEMBL9382001 0.85 TBXAS1 (0.51) TBXAS1MEN1KMT2AALDH1A1GAA
SCHEMBL9379883 0.84 CYP11B1 (0.52) MEN1LMNAKMT2ACYP19A1SHMT2
SCHEMBL9378225 0.84 CYP19A1 (0.51) CYP19A1SHMT2
SCHEMBL9379610 0.82 SHMT2 (0.49) TBXAS1MEN1KMT2ACYP19A1SHMT2
SCHEMBL9378510 0.81 MEN1 (0.57) MEN1KMT2ACYP19A1GAA
SCHEMBL9385351 0.79 ALDH1A1 (0.50) TBXAS1POLBMEN1LMNAKMT2A

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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