SCHEMBL11676296

SCHEMBL11676296

CCNS(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ VCAM1 P19320 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ LMNA P02545 2/20 0.43
▸ GPR35 Q9HC97 2/20 0.43
▸ CYP19A1 P11511 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36

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
SCHEMBL11444918 0.84 ALDH1A1 (0.51) POLBHTTVCAM1ALDH1A1CYP3A4
SCHEMBL11451900 0.79 S1PR4 (0.53) POLBHTTVCAM1ALDH1A1CYP3A4
SCHEMBL2960533 0.79 ALDH1A1 (0.56) POLBHTTVCAM1ALDH1A1CYP3A4
SCHEMBL22408944 0.75 ALDH1A1 (0.47) VCAM1ALDH1A1CYP3A4LMNACYP19A1
SCHEMBL6935992 0.75 ALDH1A1 (0.56) POLBHTTALDH1A1CYP3A4LMNA
SCHEMBL7033848 0.75 HTT (0.79) POLBHTTALDH1A1CYP3A4LMNA
SCHEMBL11676104 0.75 ALDH1A1 (0.55) POLBHTTVCAM1ALDH1A1CYP3A4
SCHEMBL10882778 0.74 VCAM1 (0.69) POLBHTTVCAM1ALDH1A1CYP3A4
SCHEMBL31022516 0.73 VCAM1 (0.57) POLBHTTVCAM1ALDH1A1LMNA
SCHEMBL11440304 0.72 ALDH1A1 (0.49) POLBHTTALDH1A1CYP3A4LMNA

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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