SCHEMBL6563459

SCHEMBL6563459

CCOC(=O)CNC(=O)N(c1cc(C)c(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)cc1F)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
IDH1 O75874 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
SCHEMBL6561824 0.93 MAPT (0.31) MAPTSMN1; SMN2
SCHEMBL6562056 0.88 MAPT (0.30) MAPTSMN1; SMN2
SCHEMBL6565394 0.88 F2 (0.36) POLBMAPTSMN1; SMN2
SCHEMBL6563636 0.87 MAPT (0.31) MAPTSMN1; SMN2
SCHEMBL6565188 0.86 PTPN11 (0.35) MAPTSMN1; SMN2
SCHEMBL6565327 0.84
SCHEMBL6561908 0.83 PTPN11 (0.33)
SCHEMBL7676673 0.82 RORC (0.31)
SCHEMBL6565383 0.82 AAK1 (0.31)
SCHEMBL7670888 0.81 F2 (0.38) POLBMAPTSMN1; SMN2

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