SCHEMBL9377792

SCHEMBL9377792

O=C1CC(Cc2ncc[nH]2)=NN1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 7/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ ALOX15 P16050 1/20 0.40
▸ GAA P10253 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TBXAS1 P24557 2/20 0.37
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ FDPS P14324 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ TERT O14746 1/20 0.33
▸ FPR2 P25090 1/20 0.32

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
SCHEMBL1679282 0.71 TAAR1 (0.64) TAAR1HTR1AALOX15ALDH1A1TBXAS1
SCHEMBL10927112 0.68 PDE3B (0.52) TAAR1MAPTKMT2A
SCHEMBL4462633 0.67 AXL (0.50) TAAR1GAAALDH1A1MAPTADRA2A
SCHEMBL6091136 0.64 ESR1 (0.43) GAAALDH1A1MAPTKMT2A
SCHEMBL13372830 0.64 TAAR1 (0.80) TAAR1HTR1AALOX15ALDH1A1ADRA2A
SCHEMBL1659954 0.64 — —
SCHEMBL3431563 0.63 — —
SCHEMBL262513 0.63 — —
SCHEMBL6448262 0.62 TBXAS1 (0.59) TAAR1HTR1AALOX15GAATBXAS1
SCHEMBL285224 0.62 TERT (0.59) TAAR1HTR1AALOX15ALDH1A1TBXAS1

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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