SCHEMBL28610250

SCHEMBL28610250

COC(=O)c1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCN(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.47
▸ MAPT P10636 5/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ CYP2C19 P33261 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ USP10 Q14694 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37

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
SCHEMBL573855 0.82 VCAM1 (0.52) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL11389391 0.80 VCAM1 (0.56) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL7822590 0.80 VCAM1 (0.67) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL573521 0.79 VCAM1 (0.54) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL573292 0.77 VCAM1 (0.47) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL573293 0.77 VCAM1 (0.47) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL645817 0.77 VCAM1 (0.55) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL11388406 0.74 FBP1 (0.50) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL22081923 0.73 MAPT (0.52) VCAM1MAPTKDM4EPOLBALDH1A1
SCHEMBL30159180 0.73 MAPT (0.52) VCAM1MAPTKDM4EPOLBALDH1A1

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-112969692-A Bumetanide derivatives for the treatment of hyperhidrosis 兹伦汀公司 2021-06-15 — — CN disclosed
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