SCHEMBL6565367

SCHEMBL6565367

CCOC(=O)Cc1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)c(C)cc1C(=O)N(C)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
SENP1 Q9P0U3 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PLAU P00749 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
SCHEMBL6563932 0.90 HTT (0.34) TSHRMEN1KMT2APLAU
SCHEMBL6565486 0.86 PLAU (0.41) TSHRSENP1MEN1KMT2APLAU
SCHEMBL6563537 0.85 PLAU (0.38) TSHRKMT2APLAU
SCHEMBL6563229 0.85 PLAU (0.37) TSHRKMT2APLAU
SCHEMBL6565352 0.80 PTPN11 (0.33)
SCHEMBL6563507 0.79 KCNK3 (0.31) TSHRMEN1KMT2A
SCHEMBL6565278 0.79 PTPN11 (0.33)
SCHEMBL6563093 0.79 NQO2 (0.32) L3MBTL1MEN1KMT2A
SCHEMBL6565350 0.78 HPGD (0.33) MEN1KMT2A
SCHEMBL6565305 0.78 AAK1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
US-6479524-B1 TO PROLONG THE THROMBIN TIME BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-11-12 US disclosed