SCHEMBL11411708

SCHEMBL11411708

Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 1/20 0.47
▸ CRHBP P24387 2/20 0.44
▸ CRHR2 Q13324 2/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ TIMP3 P35625 3/20 0.43
▸ HPSE Q9Y251 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ RECQL P46063 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ENPP3 O14638 1/20 0.43
▸ ENTPD3 O75355 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ PRKD3 O94806 1/20 0.43
▸ TDP2 O95551 1/20 0.43
▸ CBX7 O95931 1/20 0.43
▸ NSD2 O96028 1/20 0.43

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
SCHEMBL11415386 0.93 NFKBIA (0.48) NHERF1CRHBPCRHR2HSP90AA1MEN1
SCHEMBL11415799 0.86 NHERF1 (0.46) NHERF1CRHBPCRHR2HSP90AA1MEN1
SCHEMBL11415482 0.84 CCR2 (0.54) MEN1KMT2AMAPTTIMP3HPSE
SCHEMBL11415488 0.83 MEN1 (0.48) CRHBPCRHR2HSP90AA1MEN1KMT2A
SCHEMBL11422060 0.83 MEN1 (0.48) CRHBPCRHR2HSP90AA1MEN1KMT2A
SCHEMBL11407049 0.83 DDX3X (0.47) CRHBPCRHR2HSP90AA1MEN1KMT2A
SCHEMBL11411033 0.82 TIMP3 (0.46) MEN1KMT2AMAPTTIMP3HPSE
SCHEMBL11405692 0.82 IDH1 (0.42) NHERF1CRHBPCRHR2HSP90AA1MEN1
SCHEMBL11470061 0.81 TDP1 (0.45) CRHBPCRHR2HSP90AA1MEN1KMT2A
SCHEMBL11483129 0.78 KMT2A (0.50) MEN1KMT2AMAPTTIMP3HPSE

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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