SCHEMBL11565618

SCHEMBL11565618

Nc1ccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c(S(=O)(=O)O)c1.[Na].[Na].[Na]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.60
NT5E P21589 3/20 0.50
CASP6 P55212 5/20 0.47
NSD2 O96028 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.46
ENPP2 Q13822 3/20 0.42
CYP1A2 P05177 2/20 0.40
PRMT1 Q99873 2/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
ALDH1A1 P00352 4/20 0.37
CYP2C9 P11712 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL11565609 0.99 APEX1 (0.59) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11426261 0.91 APEX1 (0.47) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11151522 0.91 APEX1 (0.47) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11137099 0.90 APEX1 (0.51) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11426244 0.89 APEX1 (0.46) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11137091 0.89 APEX1 (0.50) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11135640 0.87 APEX1 (0.59) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL9822611 0.87 APEX1 (0.59) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11589837 0.87 APEX1 (0.59) APEX1NT5ECASP6NSD2DUSP3
SCHEMBL11154448 0.85 CASP6 (0.46) APEX1NT5ECASP6NSD2DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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