SCHEMBL11442053

SCHEMBL11442053

O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12)c1cc([N+](=O)[O-])ccc1S(=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 2/20 0.43
▸ CD40LG P29965 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RORC P51449 6/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KCNMA1 Q12791 2/20 0.40
▸ TIMP3 P35625 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11432542 1.00 APEX1 (0.44) APEX1CD40CD40LGALDH1A1CYP3A4
SCHEMBL11514072 0.91 KMT2A (0.46) APEX1CD40CD40LGALDH1A1CYP3A4
SCHEMBL11152668 0.91 APEX1 (0.44) APEX1CD40CD40LGALDH1A1CYP3A4
SCHEMBL11440007 0.91 APEX1 (0.44) APEX1CD40CD40LGALDH1A1CYP3A4
SCHEMBL11418896 0.91 APEX1 (0.44) APEX1CD40CD40LGALDH1A1CYP3A4
SCHEMBL11418887 0.90 APEX1 (0.43) APEX1CD40CD40LGALDH1A1CYP3A4
SCHEMBL11514077 0.88 RAB9A (0.44) APEX1CD40CD40LGALDH1A1CYP3A4
SCHEMBL11437623 0.87 TIMP3 (0.47) CD40CD40LGALDH1A1CYP3A4NPSR1
SCHEMBL11147311 0.86 CD40 (0.46) APEX1CD40CD40LGALDH1A1RAB9A
SCHEMBL11156385 0.86 CD40 (0.46) APEX1CD40CD40LGALDH1A1RAB9A

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
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
Send feedback