SCHEMBL28126130

SCHEMBL28126130

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

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.61
▸ PDK1 Q15118 2/20 0.53
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ HCAR3 P49019 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ RECQL P46063 1/20 0.44

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
SCHEMBL27869888 0.83 PDK1 (0.53) LMNAPDK1MAPTHCAR3TSHR
SCHEMBL1263066 0.81 LMNA (0.66) LMNAPDK1CRHBPCRHR2MAPT
SCHEMBL28443421 0.81 LMNA (0.61) LMNAPDK1CRHBPCRHR2MAPT
SCHEMBL28126128 0.80 LMNA (0.60) LMNAPDK1CRHBPCRHR2MAPT
SCHEMBL904579 0.79 TDP1 (0.55) CRHBPCRHR2MAPTTSHRMAPK1
SCHEMBL3440935 0.78 LMNA (0.62) LMNAPDK1CRHBPCRHR2MAPT
SCHEMBL15088714 0.78 LMNA (0.66) LMNACRHBPCRHR2MAPTHCAR3
SCHEMBL441296 0.77 LMNA (1.00) LMNAMAPTHCAR3MEN1KMT2A
SCHEMBL1162258 0.77 LMNA (1.00) LMNAMAPTHCAR3MEN1KMT2A
SCHEMBL9188742 0.76 TTR (0.51) LMNAPDK1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106518850-B A kind of chemical synthesis process of pimobendan 青岛农业大学 2019-04-09 — — CN claimed
CN-106518850-A Chemical synthesis method of Pimobendan 青岛农业大学 2017-03-22 — — CN claimed
CN-106518850-B A kind of chemical synthesis process of pimobendan 青岛农业大学 2019-04-09 — — CN disclosed
CN-106518850-A Chemical synthesis method of Pimobendan 青岛农业大学 2017-03-22 — — CN disclosed
Send feedback