SCHEMBL11405692

SCHEMBL11405692

Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 4/20 0.42
▸ NHERF1 O14745 1/20 0.42
▸ POLB P06746 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ MCL1 Q07820 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ NFKBIA P25963 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CYTH2 Q99418 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ ALPL P05186 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 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
SCHEMBL11415799 0.95 NHERF1 (0.46) IDH1NHERF1POLBSMN1; SMN2MCL1
SCHEMBL11406040 0.90 IDH1 (0.48) IDH1POLBSMN1; SMN2NFKBIARELA
SCHEMBL11437291 0.88 MAPT (0.44) IDH1POLBSMN1; SMN2GAAMCL1
SCHEMBL11415802 0.87 NFKBIA (0.52) IDH1NHERF1SMN1; SMN2MCL1HSP90AA1
SCHEMBL11402861 0.84 ALDH1A1 (0.40) POLBSMN1; SMN2GAAMEN1KMT2A
SCHEMBL11411708 0.82 NHERF1 (0.47) IDH1NHERF1POLBSMN1; SMN2GAA
SCHEMBL11437296 0.80 MEN1 (0.50) IDH1POLBSMN1; SMN2GAAMCL1
SCHEMBL11466450 0.80 DDX3X (0.52) NFKBIARELAMEN1KMT2APKM
SCHEMBL11437748 0.79 ALDH1A1 (0.41) IDH1SMN1; SMN2GAACRHBPCRHR2
SCHEMBL11432314 0.79 SMN1; SMN2 (0.51) IDH1NHERF1POLBSMN1; SMN2GAA

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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