SCHEMBL28126128

SCHEMBL28126128

CC(CC(=O)O)C(=O)c1ccc(N)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.60
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ MAPT P10636 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ PDK1 Q15118 3/20 0.46
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HCAR3 P49019 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 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
SCHEMBL9781450 0.86 LMNA (0.52) LMNACRHBPCRHR2MAPTMEN1
SCHEMBL2002281 0.84 VCAM1 (0.57) LMNAMAPTMEN1KMT2APDK1
SCHEMBL7268272 0.84 PDK1 (0.46) LMNAMAPTPDK1TSHRALDH1A1
SCHEMBL1263066 0.83 LMNA (0.66) LMNACRHBPCRHR2MAPTMEN1
SCHEMBL11703265 0.82 GPR35 (0.44) LMNAPDK1TSHRALDH1A1ALOX15
SCHEMBL3440935 0.80 LMNA (0.62) LMNACRHBPCRHR2MAPTMEN1
SCHEMBL11631320 0.80 TDP1 (0.53) LMNAMAPTTSHRTDP1ALDH1A1
SCHEMBL28644813 0.80 KMT2A (0.58) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL28443421 0.80 LMNA (0.61) LMNACRHBPCRHR2MAPTMEN1
SCHEMBL28126130 0.80 LMNA (0.61) LMNACRHBPCRHR2MAPTMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111518081-A Method for synthesizing pimobendan 中国农业大学 2020-08-11 — — CN claimed
CN-106518850-B A kind of chemical synthesis process of pimobendan 青岛农业大学 2019-04-09 — — CN claimed
CN-107522663-A The preparation method of UD-CG115BS.acardi key intermediate 天津长芦华信化工股份有限公司 2017-12-29 — — CN claimed
CN-106518850-A Chemical synthesis method of Pimobendan 青岛农业大学 2017-03-22 — — CN claimed
CN-111518081-A Method for synthesizing pimobendan 中国农业大学 2020-08-11 — — CN disclosed
CN-106518850-B A kind of chemical synthesis process of pimobendan 青岛农业大学 2019-04-09 — — CN disclosed
CN-106518850-B A kind of chemical synthesis process of pimobendan 青岛农业大学 2019-04-09 — — CN disclosed
CN-107522663-A The preparation method of UD-CG115BS.acardi key intermediate 天津长芦华信化工股份有限公司 2017-12-29 — — CN disclosed
CN-106518850-A Chemical synthesis method of Pimobendan 青岛农业大学 2017-03-22 — — CN disclosed
CN-106518850-A Chemical synthesis method of Pimobendan 青岛农业大学 2017-03-22 — — CN disclosed
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