SCHEMBL5837504

SCHEMBL5837504

C[C@@H](c1ccccc1)N1Cc2sc(N)c(C(=O)OC(C)(C)C)c2C[C@H]1CNCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.39
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM6 O15303 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NT5E P21589 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CXCR2 P25025 3/20 0.33
RECQL P46063 1/20 0.32
LIPG Q9Y5X9 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
SCHEMBL5837501 1.00 ADORA1 (0.39) ADORA1MAPTMEN1LMNAKMT2A
SCHEMBL7513980 0.87 MCHR1 (0.37) ADORA1MAPTGRM6KDM4ECXCR2
SCHEMBL7513983 0.87 MCHR1 (0.37) ADORA1MAPTGRM6KDM4ECXCR2
SCHEMBL5838733 0.84 ADORA1 (0.42) ADORA1MAPTMEN1LMNAKMT2A
SCHEMBL5770130 0.84 ADORA1 (0.42) ADORA1MAPTMEN1LMNAKMT2A
SCHEMBL7735418 0.84 ADORA1 (0.42) ADORA1MAPTMEN1LMNAKMT2A
SCHEMBL5770132 0.84 ADORA1 (0.42) ADORA1MAPTMEN1LMNAKMT2A
SCHEMBL7517368 0.84 ADORA1 (0.42) ADORA1MAPTMEN1LMNAKMT2A
SCHEMBL5771598 0.79 ADORA1 (0.38) ADORA1MAPTMEN1LMNAKMT2A
SCHEMBL5770553 0.79 ADORA1 (0.38) ADORA1MAPTMEN1LMNAKMT2A

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 5 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
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed