SCHEMBL11133671

SCHEMBL11133671

CN(C)S(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.54
▸ CYP3A4 P08684 4/20 0.54
▸ PDE2A O00408 1/20 0.54
▸ PDE5A O76074 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ PDE1B Q01064 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ PDE4B Q07343 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ PDE7A Q13946 1/20 0.54
▸ PDE1C Q14123 1/20 0.54
▸ PDE7B Q9NP56 1/20 0.54
▸ POLB P06746 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PKM P14618 1/20 0.47

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
SCHEMBL11676104 0.86 ALDH1A1 (0.55) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL9349723 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL25592597 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4APEX1POLBCYP2C19
SCHEMBL1913665 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL11809314 0.80 ALDH1A1 (0.56) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL22409086 0.78 ALDH1A1 (0.69) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL30884142 0.78 ALDH1A1 (0.69) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL13964436 0.78 ALDH1A1 (0.53) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL11021422 0.76 ALDH1A1 (0.71) ALDH1A1CYP3A4PDE2APDE5AALOX15
SCHEMBL219209 0.76 ALDH1A1 (0.80) ALDH1A1CYP3A4POLBHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039312-B1 COLOUR PHOTOPGRAPHIC MATERIAL FOR THE SILVER-DYE BLEACHING PROCESS, PROCESS FOR THE PRODUCTION OF THIS MATERIAL AND ITS USE IN THE PRODUCTION OF PHOTOGRAPHIC IMAGES CIBA-GEIGY AG (CH) 1983-12-28 — — EP disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 — — US disclosed
Send feedback