SCHEMBL4069367

SCHEMBL4069367

O=C(NCc1cc(Cl)cc(Cl)c1)Oc1nc(Sc2ccccc2)c2cccnc2c1O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGLN1 Q9GZT9 3/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
ADAMTS5 Q9UNA0 4/20 0.37
ADAMTS4 O75173 1/20 0.36
P2RX7 Q99572 1/20 0.36
TACR1 P25103 1/20 0.36
LMNA P02545 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
SCHEMBL4065002 0.84 ATM (0.49) ATML3MBTL1EGLN1ALDH1A1POLB
SCHEMBL4068888 0.82 ADORA2A (0.41) ATMMMP2MMP9L3MBTL1EGLN1
SCHEMBL4065341 0.81 MMP2 (0.38) MMP2MMP9L3MBTL1EGLN1ADAMTS5
SCHEMBL4059321 0.71 EGLN1 (0.51) L3MBTL1EGLN1POLBLMNA
SCHEMBL4060321 0.70 MAPK8 (0.49) EGLN1
SCHEMBL4063922 0.69 CALCA (0.48) L3MBTL1EGLN1POLBLMNA
SCHEMBL13813016 0.68 EGLN1 (0.50) MMP9L3MBTL1EGLN1ALDH1A1POLB
SCHEMBL4059838 0.67 CALCA (0.47) MMP2MMP9L3MBTL1EGLN1ALDH1A1
SCHEMBL4062668 0.67 CALCA (0.49) L3MBTL1EGLN1POLBLMNA
SCHEMBL6498988 0.67 EGLN1 (0.49) L3MBTL1EGLN1POLBLMNA

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