SCHEMBL5837595

SCHEMBL5837595

COc1ccc(CN2Cc3sc(N)c(C(=O)OC(C)(C)C)c3CC2CNCCc2ccc3ccccc3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
DRD4 P21917 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GLA P06280 3/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 3/20 0.37
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
HSD17B10 Q99714 3/20 0.37
NT5E P21589 1/20 0.36
ADORA1 P30542 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
CASR P41180 1/20 0.35
USP2 O75604 2/20 0.34

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
SCHEMBL6049958 0.91 ADORA1 (0.41) KDM4EMAPTDRD4GAAADORA1
SCHEMBL5838322 0.89 MAPT (0.37) KDM4EMAPTALDH1A1HPGDNT5E
SCHEMBL5837848 0.85 KDM4E (0.37) KDM4EMAPTDRD4ALDH1A1GLA
SCHEMBL7524872 0.83 MAPT (0.42) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL5838091 0.82 PTPN1 (0.53) DRD4
SCHEMBL7528917 0.82 KDM4E (0.46) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL5837057 0.82 KDM4E (0.46) KDM4EMAPTALDH1A1GLAGAA
SCHEMBL5772973 0.79 MAPT (0.41) KDM4EMAPTGAAADORA1MEN1
SCHEMBL7542021 0.79 PTPN1 (0.38) DRD4GAAMEN1KMT2AADRA1D
SCHEMBL5838468 0.78 KDM4E (0.38) KDM4EMAPTALDH1A1GLAGAA

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