SCHEMBL9379889

SCHEMBL9379889

O=C1CC(Cc2ncc[nH]2)=NN1c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ MAPT P10636 6/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ KDM4E B2RXH2 3/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SHMT2 P34897 1/20 0.42
▸ TAAR1 Q96RJ0 5/20 0.40
▸ APEX1 P27695 1/20 0.38
▸ GAA P10253 4/20 0.38
▸ USP2 O75604 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ RECQL P46063 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
SCHEMBL9378209 0.88 SHMT2 (0.46) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL9379481 0.88 SHMT2 (0.56) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL9379697 0.87 SHMT2 (0.42) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL9378235 0.87 SHMT2 (0.42) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL9378321 0.86 TAAR1 (0.41) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL9379615 0.85 SHMT2 (0.49) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL9378519 0.84 GAA (0.57) KMT2AMEN1MAPTTDP1ALDH1A1
SCHEMBL9377633 0.84 POLB (0.45) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9385358 0.83 GAA (0.45) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL9379666 0.82 GAA (0.43) KMT2AMEN1MAPTTDP1ALDH1A1

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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