SCHEMBL9379481

SCHEMBL9379481

O=C1CC(Cc2ncc[nH]2)=NN1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHMT2 P34897 1/20 0.56
▸ GAA P10253 5/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TAAR1 Q96RJ0 6/20 0.48
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ LOX P28300 1/20 0.43

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
SCHEMBL9378209 0.90 SHMT2 (0.46) SHMT2GAAALDH1A1L3MBTL1TAAR1
SCHEMBL9378235 0.88 SHMT2 (0.42) SHMT2GAAALDH1A1L3MBTL1TAAR1
SCHEMBL9379889 0.88 KMT2A (0.49) SHMT2GAAALDH1A1L3MBTL1TAAR1
SCHEMBL9379697 0.88 SHMT2 (0.42) SHMT2GAAALDH1A1L3MBTL1TAAR1
SCHEMBL9377633 0.88 POLB (0.45) SHMT2GAAALDH1A1L3MBTL1TAAR1
SCHEMBL9379615 0.86 SHMT2 (0.49) SHMT2GAAALDH1A1L3MBTL1TAAR1
SCHEMBL9382490 0.86 SHMT2 (0.43) SHMT2GAAALDH1A1L3MBTL1TAAR1
SCHEMBL9379666 0.86 GAA (0.43) SHMT2GAAALDH1A1L3MBTL1TAAR1
SCHEMBL9378519 0.85 GAA (0.57) SHMT2GAAALDH1A1L3MBTL1TAAR1
SCHEMBL9379677 0.85 CD274 (0.52) SHMT2TAAR1HTR1AADRA2AADRA2B

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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