SCHEMBL28098235

SCHEMBL28098235

Nc1ccc2c(c1)C(=O)N(O)C2=O.Nc1cccc2c1C(=O)N(O)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.48
▸ DPP4 P27487 2/20 0.48
▸ ADORA2A P29274 1/20 0.44
▸ HSPA1A P0DMV8 1/20 0.44
▸ PABPC1 P11940 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ TSHR P16473 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CASP1 P29466 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ KDM4E B2RXH2 7/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43

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
SCHEMBL6269280 0.98 ANPEP (0.47) ANPEPDPP4ADORA2AHSPA1APABPC1
SCHEMBL43760 0.87 PABPC1 (0.55) DPP4ADORA2AHSPA1APABPC1ALDH1A1
SCHEMBL42876 0.85 ALDH1A1 (0.55) ANPEPDPP4ALDH1A1NPC1RAB9A
SCHEMBL6945771 0.71 PTPRC (0.69) ANPEPDPP4ADORA2AHSPA1APABPC1
SCHEMBL7225540 0.71 ALDH1A1 (0.66) ANPEPDPP4ADORA2AHSPA1APABPC1
SCHEMBL3220477 0.71 ERCC1 (0.52) DPP4PABPC1ALDH1A1TSHRTDP1
SCHEMBL30377911 0.70 ADORA2A (0.72) ADORA2APABPC1ALDH1A1NPC1RAB9A
SCHEMBL4444783 0.70 ADORA2A (0.72) ADORA2APABPC1ALDH1A1NPC1RAB9A
SCHEMBL29361856 0.70 ADORA2A (0.72) ADORA2APABPC1ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL27414025 0.70 ALDH1A1 (0.63) ANPEPDPP4ADORA2AHSPA1APABPC1

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-103380077-B hydrogen purification method 埃克森美孚化学专利公司 2016-08-31 — — CN disclosed
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