SCHEMBL4786052

SCHEMBL4786052

Nc1ccc(Cl)c(Oc2cc(Cl)cc(Br)c2)c1N.Nc1ccc(Cl)c(Oc2cc(Cl)cc(Br)c2)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
PDE7A Q13946 2/20 0.33
VEGFA P15692 1/20 0.33
EPAS1 Q99814 1/20 0.33
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TERT O14746 1/20 0.30

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
SCHEMBL2943368 0.95 MEN1 (0.38) MEN1KMT2AALDH1A1TSHRPDE7A
SCHEMBL2884469 0.86 TSHR (0.32) MEN1KMT2ATSHRTP53MAPT
SCHEMBL2884549 0.75 ALDH1A1 (0.37) MEN1KMT2AALDH1A1TSHRPDE7A
SCHEMBL22325936 0.74 EPAS1 (0.43) MEN1KMT2AALDH1A1PDE7AEPAS1
SCHEMBL22326107 0.73 PDE7A (0.39) MEN1KMT2AALDH1A1PDE7ALMNA
SCHEMBL2881452 0.73 MAPT (0.52) MEN1KMT2AALDH1A1TSHREPAS1
SCHEMBL22325952 0.71 EPAS1 (0.46) MEN1KMT2AALDH1A1PDE7AEPAS1
SCHEMBL4556511 0.70 MAPT (0.49) MEN1KMT2AALDH1A1TSHREPAS1
Iodide SCHEMBL4440818 0.70 ALDH1A1 (0.33) MEN1KMT2AALDH1A1TSHRPDE7A
SCHEMBL22326087 0.70 PDE7A (0.42) MEN1KMT2AALDH1A1PDE7ALMNA

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
WO-2008076223-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 WO disclosed