SCHEMBL11438005

SCHEMBL11438005

Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3ccc(S(=O)(=O)O)cc23)c(S(=O)(=O)O)c1.[Na].[Na].[Na]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ TIMP3 P35625 5/20 0.42
▸ CASP6 P55212 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ TDP1 Q9NUW8 5/20 0.40
▸ RECQL P46063 4/20 0.40
▸ NSD2 O96028 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ NT5E P21589 3/20 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
SCHEMBL11437999 0.99 RAPGEF4 (0.41) RAPGEF4TIMP3CASP6ALDH1A1TDP1
SCHEMBL11444032 0.85 TIMP3 (0.49) RAPGEF4TIMP3CASP6ALDH1A1TDP1
SCHEMBL11427290 0.85 TIMP3 (0.59) RAPGEF4TIMP3CASP6ALDH1A1TDP1
SCHEMBL11438340 0.85 TIMP3 (0.54) TIMP3CASP6ALDH1A1TDP1RECQL
SCHEMBL11444030 0.84 TIMP3 (0.48) RAPGEF4TIMP3CASP6ALDH1A1TDP1
SCHEMBL11425844 0.84 TIMP3 (0.58) RAPGEF4TIMP3CASP6ALDH1A1TDP1
SCHEMBL11432539 0.83 CASP6 (0.51) RAPGEF4TIMP3CASP6ALDH1A1TDP1
SCHEMBL11432315 0.83 NT5E (0.51) RAPGEF4TIMP3CASP6ALDH1A1TDP1
SCHEMBL11437646 0.83 CD40 (0.51) TIMP3ALDH1A1TDP1MAPTKDM4E
SCHEMBL11432307 0.82 NT5E (0.50) RAPGEF4TIMP3CASP6ALDH1A1TDP1

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 3 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
US-4129590-A INHIBITORS OF THE COMPLEMENT SYSTEM AMERICAN CYANAMID COMPANY (US) 1978-12-12 — — US disclosed
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