SCHEMBL7879768

SCHEMBL7879768

C#CCNC(=O)COC.CC(C)(CO)NC(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
APLNR P35414 1/20 0.32
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL57379 0.77 TDP1 (0.46) TDP1APLNRMEN1GAAKMT2A
SCHEMBL4815929 0.77
SCHEMBL13515749 0.72 NPSR1 (0.37) MEN1KMT2A
SCHEMBL16913 0.72 TDP1 (0.48) TDP1MEN1GAAKMT2A
SCHEMBL10258326 0.71 TDP1 (0.42) TDP1APLNRMEN1GAAKMT2A
SCHEMBL30993122 0.71 CA1 (0.40) TDP1APLNRMEN1GAAKMT2A
SCHEMBL21018528 0.70 TDP1 (0.41) TDP1APLNRMEN1GAAKMT2A
SCHEMBL12711702 0.69 TDP1 (0.47) TDP1MEN1GAAKMT2A
SCHEMBL7879772 0.68 CTSS (0.36) TDP1MEN1GAAKMT2A
SCHEMBL18254602 0.67 TDP1 (0.38) TDP1APLNRMEN1GAAKMT2A

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-1147093-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-10-24 EP disclosed
WO-2000044728-A1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 2000-08-03 WO disclosed