SCHEMBL28901118

SCHEMBL28901118

O=C(O)CNC(=O)c1ccc(N2C(=O)C=CC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ SLC22A6 Q4U2R8 1/20 0.56
▸ SLC22A8 Q8TCC7 1/20 0.56
▸ TYMS P04818 1/20 0.55
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ HSP90AA1 P07900 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ CACNA1B Q00975 1/20 0.49
▸ APBA1 Q02410 1/20 0.49
▸ MGLL Q99685 6/20 0.48
▸ FAAH O00519 3/20 0.48
▸ ATM Q13315 1/20 0.48

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
SCHEMBL17231644 0.82 HPGD (0.58) DDAH1MAPTHSP90AA1NPSR1TDP1
SCHEMBL11107537 0.80 KDM4E (0.80) KDM4EMAPTHIF1ASLC22A6SLC22A8
SCHEMBL24200004 0.80 GPR139 (0.47) DDAH1TYMSCA1CA2HSP90AA1
SCHEMBL3339259 0.80 DDAH1 (0.61) DDAH1KDM4EMAPTHIF1ACA1
SCHEMBL17208726 0.79 HTT (0.55) DDAH1KDM4EMAPTHSP90AA1NPSR1
SCHEMBL17208725 0.79 DDAH1 (0.53) DDAH1MAPTHSP90AA1NPSR1TDP1
SCHEMBL17235983 0.79 CYP1A2 (0.57) DDAH1KDM4EMAPTHSP90AA1NPSR1
SCHEMBL20750037 0.78 DDAH1 (0.51) DDAH1MAPTHSP90AA1NPSR1TDP1
Hydrochloric Acid SCHEMBL17969213 0.78 DDAH1 (0.59) DDAH1KDM4EMAPTHIF1ACA1
SCHEMBL10968265 0.78 DDAH1 (0.63) DDAH1CA1HSP90AA1NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535655-B Epoxidized soybean oil maleimide, and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2020-11-10 — — CN disclosed
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