SCHEMBL11752812

SCHEMBL11752812

Cc1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 5/20 0.60
▸ DNMT1 P26358 1/20 0.54
▸ DNMT3A Q9Y6K1 1/20 0.54
▸ SLC25A1 P53007 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 4/20 0.54
▸ LMNA P02545 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ HSPD1 P10809 2/20 0.53
▸ PTPN2 P17706 2/20 0.53
▸ PTPN1 P18031 2/20 0.53
▸ PTPN5 P54829 2/20 0.53
▸ HSPE1 P61604 2/20 0.53
▸ HTT P42858 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ CRHBP P24387 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
SCHEMBL3615295 0.87 VCAM1 (0.59) VCAM1DNMT1DNMT3ASLC25A1ALDH1A1
SCHEMBL3619380 0.85 SLC25A1 (0.67) VCAM1DNMT1DNMT3ASLC25A1ALDH1A1
SCHEMBL28746841 0.84 ALDH1A1 (0.60) VCAM1DNMT1DNMT3ASLC25A1ALDH1A1
SCHEMBL1250772 0.83 VCAM1 (0.62) VCAM1DNMT1DNMT3ASLC25A1ALDH1A1
SCHEMBL5225915 0.82 VCAM1 (0.64) VCAM1DNMT1DNMT3ASLC25A1ALDH1A1
SCHEMBL24215474 0.81 MEN1 (0.70) VCAM1DNMT1DNMT3ASLC25A1MAPT
SCHEMBL30515749 0.81 MEN1 (0.70) VCAM1DNMT1DNMT3ASLC25A1MAPT
SCHEMBL14488023 0.81 MAPT (0.58) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL8113261 0.81 MAPT (0.62) VCAM1DNMT1DNMT3ASLC25A1ALDH1A1
SCHEMBL15043011 0.80 ALDH1A1 (0.66) ALDH1A1MAPTLMNAMEN1KMT2A

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
US-4009158-A DYEING AND PRINTING FIBERS SANDOZ LTD. (CH) 1977-02-22 — — US disclosed
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