SCHEMBL6565414

SCHEMBL6565414

CCOC(=O)CCN(C(=O)c1ccc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)cc1C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.33
ACACB O00763 1/20 0.30
NQO2 P16083 1/20 0.30
PTGES O14684 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
SCHEMBL6564514 0.86 NQO2 (0.40) NQO2
SCHEMBL6561879 0.84 PTPN11 (0.38) PTPN11ACACBPTGES
SCHEMBL6563526 0.82 PTPN11 (0.38) PTPN11ACACBPTGES
SCHEMBL6563495 0.80 PTPN11 (0.36) PTPN11ACACBPTGES
SCHEMBL6565188 0.80 PTPN11 (0.35) PTPN11ACACBPTGES
SCHEMBL7674318 0.79 PTPN11 (0.32) PTPN11ACACB
SCHEMBL6564919 0.78 PTPN11 (0.35) PTPN11ACACBPTGES
SCHEMBL6563457 0.78 ACACB (0.37) PTPN11ACACB
SCHEMBL6563912 0.77 ACACB (0.34) PTPN11ACACB
SCHEMBL6563779 0.77 KCNK3 (0.38) PTPN11

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