SCHEMBL5838151

SCHEMBL5838151

O=C1NC(=O)c2cc3ccccc3cc21.[KH]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.59
MAOB P27338 7/20 0.58
MAOA P21397 6/20 0.58
PARP1 P09874 1/20 0.54
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
CASP7 P55210 2/20 0.50
EGFR P00533 2/20 0.50
SRC P12931 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RGS12 O14924 1/20 0.50
GMNN O75496 1/20 0.50
PRKD3 O94806 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
GLA P06280 1/20 0.50

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
SCHEMBL29540906 0.97 GSK3B (0.62) GSK3BMAOBMAOAPARP1NPSR1
SCHEMBL699461 0.97 GSK3B (0.62) GSK3BMAOBMAOAPARP1NPSR1
SCHEMBL29783117 0.97 GSK3B (0.62) GSK3BMAOBMAOAPARP1NPSR1
SCHEMBL3085755 0.93 GSK3B (0.56) GSK3BMAOBMAOAPARP1NPSR1
SCHEMBL18908888 0.82 PARP1 (0.57) GSK3BMAOBMAOAPARP1NPSR1
SCHEMBL17346927 0.81 ACVR1 (0.50) GSK3BMAOBMAOAPARP1MEN1
Phthalimide SCHEMBL28134165 0.79 GSK3B (0.83) GSK3BMAOBMAOAPARP1NPSR1
Phthalimide SCHEMBL9229 0.78 GSK3B (0.94) GSK3BMAOBMAOAPARP1NPSR1
Phthalimide SCHEMBL1205291 0.78 GSK3B (0.94) GSK3BMAOBMAOAPARP1NPSR1
Phthalimide SCHEMBL10592849 0.76 GSK3B (0.88) GSK3BMAOBMAOAPARP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
US-7019026-B1 Modulators of Protein Tyrosine Phosphatases (PTPases) NOVO NORDISK A/S (DK) 2006-03-28 US disclosed
EP-1214325-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2005-11-09 EP disclosed