SCHEMBL4308051

SCHEMBL4308051

O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ PPARG P37231 3/20 0.54
▸ MAPT P10636 5/20 0.54
▸ HPGD P15428 1/20 0.52
▸ PTGS2 P35354 1/20 0.51
▸ MMP2 P08253 1/20 0.50
▸ MMP9 P14780 1/20 0.50
▸ MMP8 P22894 1/20 0.50
▸ MMP13 P45452 1/20 0.50
▸ MEN1 O00255 2/20 0.48
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ LCLAT1 Q6UWP7 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ ALOX5 P09917 1/20 0.47
▸ DUSP1 P28562 2/20 0.47

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
SCHEMBL2624628 0.79 HPGD (0.72) TP53LMNAMAPTHPGDPTGS2
SCHEMBL2624626 0.79 MAPT (0.71) TP53LMNAMAPTHPGDPTGS2
SCHEMBL5978453 0.79 MEN1 (0.79) TP53MAPTHPGDPTGS2MMP2
SCHEMBL4513646 0.78 MAPT (0.56) TP53LMNAMAPTPTGS2MEN1
SCHEMBL7378302 0.74 ALOX5 (0.80) LMNAMAPTMEN1POLBKMT2A
SCHEMBL21866227 0.72 LCLAT1 (0.76) LMNAMAPTHPGDMEN1POLB
SCHEMBL4526536 0.72 LMNA (0.79) TP53LMNAMAPTHPGDPTGS2
SCHEMBL18585675 0.70 MEN1 (0.68) MAPTMMP13MEN1POLBKMT2A
SCHEMBL8710919 0.70 MEN1 (0.80) LMNAMAPTMEN1POLBKMT2A
SCHEMBL3145506 0.70 TP53 (0.61) TP53LMNAMAPTHPGDPTGS2

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
WO-2009113795-A2 VECTOR AND METHOD FOR EXPRESSING AVIAN INFLUENZA VIRUS NEURAMINIDASE N1 IN E. COLI, METHOD OF USING THE VECTOR, AND NEURAMINIDASE INHIBITORS INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-09-17 — — WO claimed
WO-2009113795-A2 VECTOR AND METHOD FOR EXPRESSING AVIAN INFLUENZA VIRUS NEURAMINIDASE N1 IN E. COLI, METHOD OF USING THE VECTOR, AND NEURAMINIDASE INHIBITORS INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2009-09-17 — — WO disclosed
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