SCHEMBL11676104

SCHEMBL11676104

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.55
▸ KMT2A Q03164 5/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ PDE2A O00408 1/20 0.55
▸ PDE5A O76074 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ PDE4A P27815 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PDE1B Q01064 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ PDE4B Q07343 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ PDE7A Q13946 1/20 0.55
▸ PDE1C Q14123 1/20 0.55
▸ PDE7B Q9NP56 1/20 0.55

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
SCHEMBL11133671 0.86 ALDH1A1 (0.54) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL2960533 0.82 ALDH1A1 (0.56) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL6935992 0.79 ALDH1A1 (0.56) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL11444918 0.78 ALDH1A1 (0.51) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL11021422 0.78 ALDH1A1 (0.71) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL5901610 0.77 ALDH1A1 (0.71) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL266593 0.75 ALDH1A1 (0.76) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL11676296 0.75 POLB (0.49) ALDH1A1CYP3A4POLBLMNAGPR35
SCHEMBL10876154 0.74 ALDH1A1 (0.44) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL5901748 0.73 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1POLBPKM

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
US-4060544-A COUPLERS GAF CORPORATION (US) 1977-11-29 — — US disclosed
US-4039524-A Keto-amido containing phenylazo benzothiazole dyestuffs GAF CORPORATION (US) 1977-08-02 — — US disclosed
US-3931145-A POLYESTER GAF CORPORATION (US) 1976-01-06 — — US disclosed
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