SCHEMBL6561824

SCHEMBL6561824

CCOC(=O)CNC(=O)N(c1cc(C)c(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)cc1C)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PTPN11 Q06124 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
SCHEMBL6562056 0.95 MAPT (0.30) MAPTSMN1; SMN2
SCHEMBL6563459 0.93 POLB (0.30) MAPTSMN1; SMN2
SCHEMBL6565327 0.90
SCHEMBL6565188 0.89 PTPN11 (0.35) MAPTSMN1; SMN2KDM4EPTPN11
SCHEMBL6563636 0.89 MAPT (0.31) MAPTSMN1; SMN2PTPN11
SCHEMBL6561908 0.89 PTPN11 (0.33) PTPN11
SCHEMBL6565383 0.88 AAK1 (0.31) PTPN11
SCHEMBL7670888 0.87 F2 (0.38) MAPTSMN1; SMN2
SCHEMBL6562003 0.86 PTPN11 (0.33) PTPN11
SCHEMBL6563714 0.86

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