SCHEMBL5837489

SCHEMBL5837489

COc1ccc(CN2Cc3sc(N)c(C(=O)OC(C)(C)C)c3CC2C(=C=O)N2Cc3c(OC)cc(OC)cc3C2=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NT5E P21589 1/20 0.35
HCRTR1 O43613 3/20 0.33
ADORA1 P30542 3/20 0.32
HCRTR2 O43614 2/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
LMNA P02545 1/20 0.31
P2RX3 P56373 2/20 0.30
ATM Q13315 1/20 0.30
RAD52 P43351 1/20 0.30
AGTR2 P50052 1/20 0.30
ABCB1 P08183 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL5772980 0.78 MAPT (0.39) MAPTKDM4ENT5EADORA1MEN1
SCHEMBL7521524 0.77 ADORA1 (0.46) MAPTKDM4EADORA1MEN1KMT2A
SCHEMBL5837487 0.75 KDM4E (0.37) MAPTKDM4ENT5EADORA1MEN1
SCHEMBL5837857 0.74 MAPT (0.41) MAPTKDM4ENT5EADORA1MEN1
SCHEMBL5837057 0.74 KDM4E (0.46) MAPTKDM4ENT5EADORA1MEN1
SCHEMBL7528917 0.74 KDM4E (0.46) MAPTKDM4ENT5EADORA1MEN1
SCHEMBL5772973 0.73 MAPT (0.41) MAPTKDM4EADORA1MEN1KMT2A
SCHEMBL5838328 0.73 KDM4E (0.40) MAPTKDM4ENT5EADORA1MEN1
SCHEMBL5837854 0.71 MAPT (0.38) MAPTKDM4ENT5EHCRTR1ADORA1
SCHEMBL5838415 0.70 KDM4E (0.38) MAPTKDM4ENT5EADORA1MEN1

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 1 patent. 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