SCHEMBL825274

SCHEMBL825274

C#CCOc1ccccc1-c1c2nc(cc3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ MAOB P27338 6/20 0.44
▸ MAOA P21397 3/20 0.38
▸ CYP1A1 P04798 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP1B1 Q16678 2/20 0.34
▸ MAPT P10636 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
SCHEMBL31409740 0.87 STAT3 (0.49) STAT3STAT1MAOBMAOA
Zinc Ion SCHEMBL31409746 0.86 STAT3 (0.48) STAT3STAT1MAOBMAOA
Zinc Ion SCHEMBL31409747 0.86 STAT3 (0.48) STAT3STAT1MAOBMAOA
SCHEMBL1945082 0.82 STAT3 (0.54) STAT3STAT1MAPT
SCHEMBL7268040 0.80 STAT3 (0.54) STAT3STAT1
SCHEMBL9764318 0.78 STAT3 (0.58) STAT3STAT1
SCHEMBL4269117 0.76 STAT3 (0.55) STAT3STAT1
SCHEMBL10482856 0.76 STAT3 (0.58) STAT3STAT1
SCHEMBL6892151 0.76 STAT3 (0.58) STAT3STAT1MAPT
SCHEMBL7269032 0.76 STAT3 (0.58) STAT3STAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130224761-A1 NON COVALENT MOLECULAR STRUCTURE, COMPRISING A PORPHYRIN BASED GLYCOCONJUGATE, DEVICE COMPRISING THE SAME AND ITS USE FOR DETECTION OF LECTIN CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2013-08-29 — — US disclosed
EP-2583105-A1 NON COVALENT MOLECULAR STRUCTURE, DEVICE COMPRISING THE SAME AND ITS USE FOR THE DETECTION OF A LECTIN Centre National De La Recherche Scientifique CNRS (FR) 2013-04-24 — — EP disclosed
WO-2011158200-A1 NON COVALENT MOLECULAR STRUCTURE, DEVICE COMPRISING THE SAME AND ITS USE FOR THE DETECTION OF A LECTIN CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-12-22 — — WO disclosed
WO-2011158068-A1 NON COVALENT MOLECULAR STRUCTURE, DEVICE COMPRISING THE SAME AND ITS USE FOR DETECTION OF LECTIN CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2011-12-22 — — WO disclosed
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