SCHEMBL6561843

SCHEMBL6561843

CCOC(=O)CN(C)Cc1cc(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)ccc1C(=O)N1CCCC1C

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTPN11 Q06124 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
HRH3 Q9Y5N1 2/20 0.30
HSD11B1 P28845 1/20 0.30
NAMPT P43490 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
SCHEMBL7671224 0.88 PRSS1 (0.35) GAASMN1; SMN2HRH3HSD11B1NAMPT
SCHEMBL6561835 0.87 PTPN11 (0.35) GAAPTPN11DDB1CRBNHRH3
SCHEMBL6565417 0.87 PTPN11 (0.36) GAAPTPN11DDB1CRBNHRH3
SCHEMBL6561930 0.85 MEN1 (0.39) SMN1; SMN2NAMPTMEN1TSHRKMT2A
SCHEMBL6563779 0.83 KCNK3 (0.38) GAASMN1; SMN2PTPN11HSD11B1MEN1
SCHEMBL6563002 0.82 HRH3 (0.42) GAAPTPN11HRH3HSD11B1NAMPT
SCHEMBL6563507 0.82 KCNK3 (0.31) GAAHRH3HSD11B1NAMPTMEN1
SCHEMBL7676439 0.80 HSD11B1 (0.32) GAASMN1; SMN2PTPN11DDB1CRBN
SCHEMBL6565093 0.80 ACACB (0.35) SMN1; SMN2PTPN11DDB1CRBNITGB3
SCHEMBL6565371 0.80 KCNK3 (0.34) GAASMN1; SMN2PTPN11DDB1CRBN

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