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SCHEMBL6427650

SCHEMBL6427650

O=C(Nc1ccc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C(=O)O)c3)cc2c1)Nc1ccc2ccc(S(=O)(=O)Nc3ccc([N+](=O)[O-])c(C(=O)O)c3)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ POLB P06746 1/20 0.47
▸ AKR1C3 P42330 1/20 0.46
▸ GAA P10253 1/20 0.45

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
SCHEMBL6079663 0.96 ALDH1A1 (0.51) ALDH1A1MEN1KMT2APOLBAKR1C3
SCHEMBL6079766 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAA
SCHEMBL6077882 0.83 ALDH1A1 (0.77) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL6078356 0.82 MEN1 (0.58) ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL6078762 0.82 MEN1 (0.58) ALDH1A1MEN1KMT2APOLBAKR1C3
SCHEMBL6079494 0.82 CASP6 (0.59) ALDH1A1MEN1KMT2AAKR1C3
SCHEMBL6079248 0.82 MEN1 (0.58) ALDH1A1MEN1KMT2A
SCHEMBL6078851 0.81 ALDH1A1 (0.62) ALDH1A1MEN1KMT2A
SCHEMBL6077873 0.80 TSHR (0.59) ALDH1A1MEN1KMT2AGAA
SCHEMBL6079433 0.80 ALDH1A1 (0.71) ALDH1A1MEN1KMT2A

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-1181271-B1 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK INC (US) 2005-01-19 — — EP disclosed
US-6458998-B1 NAPHTHALENEUREAS AS ANTIDIABETIC AGENTS TELIK, INC. 2002-10-01 — — US disclosed