SCHEMBL7665776

SCHEMBL7665776

COc1c(C)c(C)c(N(C(=O)O)C(C)(C)C)c(C)c1Br

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.33
IMPDH2 P12268 3/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 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
SCHEMBL7657146 0.73 MEN1 (0.39) IMPDH2ALDH1A1HPGD
SCHEMBL3594627 0.66 PARP1 (0.32) ALDH1A1HPGD
SCHEMBL3606933 0.65 PTGS2 (0.31)
SCHEMBL3605520 0.65 EZH2 (0.36)
SCHEMBL3607869 0.65 PTPN1 (0.38) PTPN1IMPDH2ALDH1A1HPGD
SCHEMBL1783863 0.64 CA2 (0.39) PTPN1IMPDH2ALDH1A1HPGD
SCHEMBL17772634 0.64 CA2 (0.39) PTPN1IMPDH2ALDH1A1HPGD
SCHEMBL3594426 0.64 PTGS2 (0.30)
SCHEMBL9070629 0.64 CA2 (0.42) PTPN1ALDH1A1HPGD
SCHEMBL21468504 0.63 MEP1B (0.33)

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-6479536-B1 Benzofuran derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-12 US disclosed