SCHEMBL5838415

SCHEMBL5838415

COc1ccc(CN2Cc3sc(N)c(C(=O)OC(C)(C)C)c3CC2C(=O)N2Cc3cccc(O[Si](C)(C)C(C)(C)C)c3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
ADORA1 P30542 6/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
NT5E P21589 1/20 0.32
P2RX3 P56373 1/20 0.32
ALDH1A1 P00352 2/20 0.32
GLA P06280 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TMEM97 Q5BJF2 1/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ABHD6 Q9BV23 1/20 0.31

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
SCHEMBL5837857 0.93 MAPT (0.41) KDM4EMAPTADORA1MEN1KMT2A
SCHEMBL5836747 0.89 NT5E (0.38) MAPTNT5EHDAC8
SCHEMBL5837905 0.85 MAPT (0.38) KDM4EMAPTADORA1MEN1KMT2A
SCHEMBL5837056 0.82 MAPT (0.35) KDM4EMAPTADORA1MEN1KMT2A
SCHEMBL5838328 0.82 KDM4E (0.40) KDM4EMAPTADORA1MEN1KMT2A
SCHEMBL5837805 0.81 NT5E (0.41) MAPTNT5EABHD6HDAC8
SCHEMBL5772980 0.79 MAPT (0.39) KDM4EMAPTADORA1MEN1KMT2A
SCHEMBL5838260 0.78 NT5E (0.38) MAPTNT5EHDAC8
SCHEMBL7521524 0.77 ADORA1 (0.46) KDM4EMAPTADORA1MEN1KMT2A
SCHEMBL5837902 0.76 MAPT (0.34) KDM4EMAPTADORA1MEN1KMT2A

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