SCHEMBL535957

SCHEMBL535957

Nc1nc(=O)[nH]cc1CSCCO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
PNP P00491 2/20 0.32
NPC1 O15118 1/20 0.32
ADORA2A P29274 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL536474 0.86 CYP1A2 (0.37) CYP1A2CYP2C9
SCHEMBL542389 0.78 PNP (0.37) PNPNPC1
SCHEMBL2512344 0.78 SUMO1 (0.36) PNP
SCHEMBL26506 0.78 SUMO1 (0.36) PNP
SCHEMBL536006 0.77
SCHEMBL29512549 0.76 SUMO1 (0.36) PNP
SCHEMBL1665906 0.76 PNP (0.31) PNP
SCHEMBL7599129 0.74 PNP (0.39) PNP
SCHEMBL17224029 0.72 PNP (0.33) PNP
Phosphoric Acid SCHEMBL29134054 0.72 PNP (0.33) PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414527-B1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INST (LT) 2015-05-20 EP disclosed
EP-2414528-B1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES UNIV VILNIUS (LT) 2014-05-07 EP disclosed
EP-2414528-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 EP disclosed
EP-2414527-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES Biotechnologijos Institutas (LT) 2012-02-08 EP disclosed
WO-2010115847-A1 CONVERSION OF ALPHA-HYDROXYALKYLATED RESIDUES IN BIOMOLECULES USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2010-10-14 WO disclosed
WO-2010115846-A1 DERIVATIZATION OF BIOMOLECULES BY COVALENT COUPLING OF NON-COFACTOR COMPOUNDS USING METHYLTRANSFERASES BIOTECHNOLOGIJOS INSTITUTAS (LT) 2010-10-14 WO disclosed