SCHEMBL11432307

SCHEMBL11432307

Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3ccc(S(=O)(=O)O)cc23)c(S(=O)(=O)O)c1.[NaH].[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 4/20 0.50
▸ CASP6 P55212 6/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ NSD2 O96028 2/20 0.44
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ APEX1 P27695 2/20 0.40
▸ TIMP3 P35625 3/20 0.39
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ ENPP2 Q13822 3/20 0.38
▸ TDP1 Q9NUW8 4/20 0.37
▸ RECQL P46063 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ GAA P10253 2/20 0.37

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
SCHEMBL11432315 0.99 NT5E (0.51) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11432534 0.93 CASP6 (0.50) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11432539 0.92 CASP6 (0.51) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11565609 0.85 APEX1 (0.59) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11426244 0.85 APEX1 (0.46) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11438960 0.84 PRMT1 (0.53) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11565618 0.84 APEX1 (0.60) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11437999 0.84 RAPGEF4 (0.41) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11151522 0.83 APEX1 (0.47) NT5ECASP6ALDH1A1HSD17B10CYP2C9
SCHEMBL11426261 0.83 APEX1 (0.47) NT5ECASP6ALDH1A1HSD17B10CYP2C9

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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