SCHEMBL7550192

SCHEMBL7550192

COc1ccc(CN2Cc3sc(NC(=O)C(=O)OC(C)(C)C)c(C(=O)O)c3CC2CNC(=O)Cc2c(C)[nH]c3ccc(OC)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.38
PTPN1 P18031 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
PTPN5 P54829 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
HDAC1 Q13547 10/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL5837754 0.95 AKR1C2 (0.36) AKR1C2PTPN1PTGDR2PTPN5MTNR1A
SCHEMBL5837745 0.93 PTPN1 (0.44) AKR1C2PTPN1PTGDR2PTPN5MTNR1A
SCHEMBL5838311 0.86 AKR1C2 (0.39) AKR1C2PTGDR2PTPN5MTNR1AMTNR1B
SCHEMBL7555860 0.84 AKR1C2 (0.37) AKR1C2PTGDR2PTPN5MTNR1AMTNR1B
SCHEMBL5838160 0.77 ALDH1A1 (0.43) MAPTMEN1KMT2AKDM4E
SCHEMBL7521561 0.76 NT5E (0.43) PTPN1MAPTMEN1KMT2ATDP1
SCHEMBL7526850 0.74 PTPN1 (0.46) PTPN1MTNR1AMTNR1BMAPTMEN1
SCHEMBL7519646 0.73 NT5E (0.42) PTPN1MEN1KMT2ATDP1
SCHEMBL7519093 0.72 PTPN1 (0.46) PTPN1HDAC1MAPTHDAC2KDM4E
SCHEMBL7520923 0.72 THRB (0.40) PTPN1MAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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