SCHEMBL4556511

SCHEMBL4556511

O=[N+]([O-])c1cccc(Cl)c1Cl.O=[N+]([O-])c1cccc(Cl)c1Oc1cc(Cl)cc(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
APEX1 P27695 1/20 0.42
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
TERT O14746 1/20 0.36
HSPB1 P04792 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
CYP19A1 P11511 1/20 0.34
EPAS1 Q99814 1/20 0.34

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
SCHEMBL2881452 0.96 MAPT (0.52) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL3031375 0.77 EPAS1 (0.40) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2878659 0.77 ALDH1A1 (0.47) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL9818964 0.77 MAPT (0.67) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2511485 0.76 EPAS1 (0.34) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL2326248 0.75 MAPT (0.64) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL58157 0.74 TDP1 (0.65) MAPTPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL28282595 0.74 TDP1 (0.65) MAPTPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL29460277 0.74 TDP1 (0.65) MAPTPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL3028132 0.74 EPAS1 (0.38) MAPTPOLBALDH1A1SMN1; SMN2HSPB1

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
EP-2121638-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
WO-2008076225-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed