SCHEMBL11429061

SCHEMBL11429061

O=C(Nc1cc(S(=O)(=O)O)cc2cccc(S(=O)(=O)O)c12)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[Na].[Na].[Na]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.52
▸ CD40LG P29965 1/20 0.52
▸ RORC P51449 2/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ APEX1 P27695 1/20 0.42
▸ KCNMA1 Q12791 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SLC5A1 P13866 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ WDR5 P61964 1/20 0.40

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
SCHEMBL11429056 0.99 CD40 (0.52) CD40CD40LGRORCMEN1KMT2A
SCHEMBL11152668 0.90 APEX1 (0.44) CD40CD40LGRORCMEN1KMT2A
SCHEMBL11440007 0.90 APEX1 (0.44) CD40CD40LGRORCMEN1KMT2A
SCHEMBL11418896 0.90 APEX1 (0.44) CD40CD40LGRORCMEN1KMT2A
SCHEMBL11418887 0.89 APEX1 (0.43) CD40CD40LGRORCMEN1KMT2A
SCHEMBL11433142 0.86 APEX1 (0.56) CD40CD40LGRORCMEN1KMT2A
SCHEMBL11147311 0.86 CD40 (0.46) CD40CD40LGMEN1KMT2AAPEX1
SCHEMBL11156385 0.86 CD40 (0.46) CD40CD40LGMEN1KMT2AAPEX1
SCHEMBL11433134 0.85 APEX1 (0.55) CD40CD40LGRORCMEN1KMT2A
SCHEMBL11429059 0.84 DUSP5 (0.48) CD40CD40LGRORCMEN1KMT2A

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-4229584-A Ureylenebis(anionic substituted phenylene carbonyl)imino naphthalene sulfonic acids and naphthalene carboxylic acids and their salts AMERICAN CYANAMID COMPANY (US) 1980-10-21 — — US disclosed
US-4177209-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1979-12-04 — — US disclosed
US-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 — — US disclosed
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