SCHEMBL11418896

SCHEMBL11418896

O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[Na].[Na].[Na].[Na]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.44
▸ CD40 P25942 1/20 0.43
▸ CD40LG P29965 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KCNMA1 Q12791 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SLC5A1 P13866 1/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ RORC P51449 4/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ENPP2 Q13822 1/20 0.38
▸ KDR P35968 2/20 0.38

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
SCHEMBL11440007 1.00 APEX1 (0.44) APEX1CD40CD40LGMAPTRAB9A
SCHEMBL11152668 1.00 APEX1 (0.44) APEX1CD40CD40LGMAPTRAB9A
SCHEMBL11418887 0.99 APEX1 (0.43) APEX1CD40CD40LGMAPTRAB9A
SCHEMBL11156385 0.95 CD40 (0.46) APEX1CD40CD40LGMAPTRAB9A
SCHEMBL11147311 0.95 CD40 (0.46) APEX1CD40CD40LGMAPTRAB9A
SCHEMBL11433142 0.91 APEX1 (0.56) APEX1CD40CD40LGMAPTRAB9A
SCHEMBL11442053 0.91 APEX1 (0.44) APEX1CD40CD40LGMAPTRAB9A
SCHEMBL11432542 0.91 APEX1 (0.44) APEX1CD40CD40LGMAPTRAB9A
SCHEMBL11433134 0.90 APEX1 (0.55) APEX1CD40CD40LGMAPTRAB9A
SCHEMBL11514077 0.90 RAB9A (0.44) APEX1CD40CD40LGMAPTRAB9A

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 5 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
EP-0008154-A1 Ureylene phenylene anionic naphthalene-sulfonic acids, their use as complement system inhibitors in a body fluid and process for their preparation AMERICAN CYANAMID COMPANY (US) 1980-02-20 — — EP disclosed
US-4185032-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1980-01-22 — — 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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