SCHEMBL6563344

SCHEMBL6563344

CCOC(=O)CCN(C(=O)c1cc(C)c(C#CCNc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)cc1C)c1ccnn1CC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.33

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
SCHEMBL6563301 0.88 NQO2 (0.43) NQO2
SCHEMBL6565386 0.80 F2 (0.43) NQO2
SCHEMBL6565269 0.80 ALDH1A1 (0.45) NQO2
SCHEMBL6565350 0.80 HPGD (0.33)
SCHEMBL6565352 0.78 PTPN11 (0.33)
SCHEMBL6561955 0.78 SMN1; SMN2 (0.31)
SCHEMBL6565483 0.77 SMN1; SMN2 (0.30)
SCHEMBL6565278 0.77 PTPN11 (0.33)
SCHEMBL6561854 0.77
SCHEMBL6565347 0.76

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