SCHEMBL9379475

SCHEMBL9379475

O=C1CC(Cn2ccnc2)=NN1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.49
▸ GAA P10253 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP11B1 P15538 7/20 0.49
▸ CYP11B2 P19099 6/20 0.49
▸ CYP19A1 P11511 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ TBXAS1 P24557 2/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ QPCT Q16769 1/20 0.49
▸ CYP4Z1 Q86W10 1/20 0.49
▸ QPCTL Q9NXS2 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CHRM2 P08172 1/20 0.47

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
SCHEMBL9378198 0.88 CYP19A1 (0.52) SHMT2ALDH1A1GAACYP11B1CYP11B2
SCHEMBL9378225 0.87 CYP19A1 (0.51) SHMT2CYP11B1CYP11B2CYP19A1
SCHEMBL9379883 0.87 CYP11B1 (0.52) SHMT2ALDH1A1CYP11B1CYP11B2CYP19A1
SCHEMBL9379690 0.87 CYP19A1 (0.47) SHMT2ALDH1A1GAAL3MBTL1CYP11B1
SCHEMBL9377622 0.86 TBXAS1 (0.47) SHMT2ALDH1A1GAAL3MBTL1CYP19A1
SCHEMBL9382480 0.85 CYP11B1 (0.52) SHMT2GAAL3MBTL1CYP11B1CYP11B2
SCHEMBL9379610 0.85 SHMT2 (0.49) SHMT2CYP11B1CYP11B2CYP19A1TBXAS1
SCHEMBL9379658 0.84 TBXAS1 (0.51) SHMT2ALDH1A1GAAL3MBTL1CYP19A1
SCHEMBL9378510 0.84 MEN1 (0.57) GAACYP11B1CYP11B2CYP19A1MEN1
SCHEMBL9378216 0.83 CYP19A1 (0.48) SHMT2GAACYP11B1CYP11B2CYP19A1

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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