SCHEMBL11406040

SCHEMBL11406040

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 4/20 0.48
▸ NFKBIA P25963 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SLC5A1 P13866 1/20 0.45
▸ NCOA1 Q15788 1/20 0.45
▸ NCOA3 Q9Y6Q9 1/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL11415802 0.95 NFKBIA (0.52) IDH1NFKBIARELASMN1; SMN2MEN1
SCHEMBL11405692 0.90 IDH1 (0.42) IDH1NFKBIARELASMN1; SMN2MEN1
SCHEMBL11437296 0.89 MEN1 (0.50) IDH1NFKBIARELASMN1; SMN2MEN1
SCHEMBL11415799 0.87 NHERF1 (0.46) IDH1NFKBIARELASMN1; SMN2MEN1
SCHEMBL11402862 0.84 ALDH1A1 (0.43) IDH1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11431457 0.84 IDH1 (0.55) IDH1
SCHEMBL11437291 0.82 MAPT (0.44) IDH1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11432314 0.81 SMN1; SMN2 (0.51) IDH1NFKBIARELASMN1; SMN2MEN1
SCHEMBL11415386 0.81 NFKBIA (0.48) IDH1NFKBIARELASMN1; SMN2MEN1
SCHEMBL11466450 0.80 DDX3X (0.52) NFKBIARELAMEN1KMT2APKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4231958-A AMINOPHENYLENECARBONYL /AND SULFONYL/IMINONAPHTHALENE INTERMEDIATES AMERICAN CYANAMID COMPANY (US) 1980-11-04 — — US disclosed
US-4229370-A INHIBITORS OF THE COMPLEMENT SYSTEM, IMMUNOLOGY 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-4155930-A Ureylene phenylene anionic naphthalenesulfonic acids AMERICAN CYANAMID COMPANY (US) 1979-05-22 — — US disclosed
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