SCHEMBL825276

SCHEMBL825276

C#CCOc1c(-c2ccccc2)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ MAOB P27338 14/20 0.38
▸ MAOA P21397 7/20 0.38
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ PARP1 P09874 1/20 0.31
▸ ACHE P22303 1/20 0.30
▸ PADI4 Q9UM07 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ ALDH1A1 P00352 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
▸ TSHR P16473 1/20 0.30
▸ NFKB1 P19838 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
SCHEMBL28275582 0.84 STAT3 (0.46) STAT3STAT1CYP1A2KDM4ENPC1
SCHEMBL28059974 0.82 STAT3 (0.44) STAT3STAT1KDM4ENPC1USP2
SCHEMBL1945085 0.80 STAT3 (0.49) STAT3STAT1KDM4ENPC1ALDH1A1
SCHEMBL28801306 0.80 STAT3 (0.42) STAT3STAT1TSHR
SCHEMBL28169160 0.80 STAT3 (0.42) STAT3STAT1KDM4ENPC1USP2
SCHEMBL28087191 0.80 STAT3 (0.42) STAT3STAT1KDM4ENPC1USP2
SCHEMBL226837 0.79 STAT3 (0.59) STAT3STAT1CYP1A2KDM4ENPC1
SCHEMBL31384871 0.79 STAT3 (0.48) STAT3STAT1KDM4ENPC1ALDH1A1
SCHEMBL31384905 0.79 STAT3 (0.48) STAT3STAT1KDM4ENPC1ALDH1A1
SCHEMBL10423762 0.79 STAT3 (0.48) STAT3STAT1KDM4ENPC1ALDH1A1

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-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
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
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