SCHEMBL28832071

SCHEMBL28832071

O=C(Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 1/20 0.54
▸ MCHR1 Q99705 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MITF O75030 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ MCOLN3 Q8TDD5 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ VCAM1 P19320 2/20 0.52
▸ TDP1 Q9NUW8 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MAPK1 P28482 2/20 0.51

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
SCHEMBL27881398 0.82 TSHR (0.48) ALDH1A1NPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL10801519 0.78 KMT2A (0.46) ALDH1A1LMNAMAPTHTTPOLB
SCHEMBL22116022 0.77 LMNA (0.70) NPBWR1MCHR1ALDH1A1LMNAMAPT
SCHEMBL22137282 0.77 LMNA (0.70) NPBWR1MCHR1ALDH1A1LMNAMAPT
SCHEMBL10804963 0.76 MEN1 (0.48) ALDH1A1LMNAMAPTNPSR1MITF
SCHEMBL4894349 0.75 LMNA (0.68) NPBWR1MCHR1ALDH1A1LMNAMAPT
SCHEMBL4900948 0.74 VCAM1 (0.71) NPBWR1MCHR1ALDH1A1LMNAMAPT
SCHEMBL28448328 0.72 ALDH1A1 (0.52) ALDH1A1LMNAMAPTNPSR1HTT
SCHEMBL2041750 0.72 KMT2A (0.80) NPBWR1MCHR1ALDH1A1LMNAMAPT
SCHEMBL10803968 0.71 ALDH1A1 (0.45) ALDH1A1LMNAMAPTGAAHTT

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-105916500-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 欧洲筛选有限公司 2016-08-31 — — CN disclosed
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