SCHEMBL4065341

SCHEMBL4065341

O=C(NCc1cc(Cl)cc(Cl)c1)Oc1nc(S(=O)(=O)c2ccccc2)c2cccnc2c1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NAMPT P43490 4/20 0.38
EGLN1 Q9GZT9 3/20 0.38
COMT P21964 2/20 0.38
SLC40A1 Q9NP59 2/20 0.37
ADAMTS5 Q9UNA0 2/20 0.37
CYP2C9 P11712 1/20 0.36
ADAMTS4 O75173 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL4066438 0.84 CALCA (0.47) L3MBTL1NAMPTEGLN1COMT
SCHEMBL4069367 0.81 ATM (0.42) MMP2MMP9L3MBTL1EGLN1ADAMTS5
SCHEMBL4059321 0.70 EGLN1 (0.51) L3MBTL1EGLN1
SCHEMBL4060321 0.70 MAPK8 (0.49) EGLN1
SCHEMBL4063922 0.68 CALCA (0.48) L3MBTL1EGLN1
SCHEMBL13813016 0.67 EGLN1 (0.50) MMP9L3MBTL1EGLN1
SCHEMBL4059838 0.67 CALCA (0.47) MMP2MMP9L3MBTL1EGLN1ADAMTS5
SCHEMBL4062668 0.66 CALCA (0.49) L3MBTL1EGLN1
SCHEMBL6498988 0.66 EGLN1 (0.49) L3MBTL1EGLN1
SCHEMBL4065002 0.66 ATM (0.49) L3MBTL1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326865-B1 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2009-05-06 EP claimed