SCHEMBL5838665

SCHEMBL5838665

CC(C)(C)OC(=O)c1c(N)sc2c1CC(C(=O)N1Cc3cccc([N+](=O)[O-])c3C1=O)OC2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
GRM6 O15303 1/20 0.31
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
P2RX3 P56373 1/20 0.30
MET P08581 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
SCHEMBL5837610 0.87 MAPT (0.33) ADORA1KDM4EMAPTGRM6
SCHEMBL5838694 0.87 GRM6 (0.33) ADORA1KDM4EMAPTGRM6
SCHEMBL5837829 0.87 CXCR2 (0.36) MAPTPDE4BPDE4D
SCHEMBL5838372 0.84 GRM6 (0.37) ADORA1KDM4EMAPTGRM6
SCHEMBL5837781 0.83 GABRA1 (0.37) ADORA1KDM4EMAPT
SCHEMBL6316682 0.78 GRM6 (0.40) ADORA1KDM4EMAPTGRM6
SCHEMBL6316465 0.78 KDM4E (0.34) ADORA1KDM4EMAPTGRM6
SCHEMBL5838657 0.77 ALDH1A1 (0.37) MAPT
SCHEMBL5838246 0.75 CXCR2 (0.39) MAPT
SCHEMBL5838706 0.75 CXCR2 (0.42) P2RX3

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