SCHEMBL28334959

SCHEMBL28334959

Nc1cc(O)c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ GPR35 Q9HC97 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL27851139 0.78 GAA (0.57) GAATHRBALDH1A1CYP3A4L3MBTL1
SCHEMBL20536005 0.78 ALDH1A1 (0.50) GAATHRBALDH1A1CYP3A4L3MBTL1
SCHEMBL9820291 0.77 GAA (0.45) GAATHRBALDH1A1CYP3A4L3MBTL1
SCHEMBL3366890 0.76 ALDH1A1 (0.47) ALDH1A1CYP3A4L3MBTL1ALOX15MAPK1
SCHEMBL11799394 0.76 GPR35 (0.50) ALDH1A1CYP3A4L3MBTL1ALOX15MAPK1
SCHEMBL10933025 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4L3MBTL1ALOX15MAPK1
SCHEMBL6372495 0.74 ALDH1A1 (0.56) GAATHRBALDH1A1CYP3A4L3MBTL1
SCHEMBL19306636 0.73 TTR (0.44) GAATHRBALDH1A1CYP3A4ALOX15
SCHEMBL28042420 0.72 CASP6 (0.45) GAATHRBALDH1A1L3MBTL1HSD17B10
SCHEMBL231446 0.72 GPR35 (0.45) GAATHRBALDH1A1ALOX15MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106552478-B Composite desulfurizing agent and preparation method thereof 中国石油化工股份有限公司 2019-12-27 — — CN claimed
CN-115725343-A Absorbent for deep purification and desulfurization of fuel gas in oil refinery as well as preparation method and application of absorbent 中国石油天然气股份有限公司 2023-03-03 — — CN disclosed
CN-106552478-B Composite desulfurizing agent and preparation method thereof 中国石油化工股份有限公司 2019-12-27 — — CN disclosed
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