SCHEMBL172786

SCHEMBL172786

COc1c(CN2O[C@@H](CO)[C@@H]([C@H](C)O)[C@H]2C(=O)N[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cccc1-c1cccc(C(=O)N[C@H](CN(C)C)C2CCCCC2)c1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL14186271 1.00 TDP1 (0.31) TDP1
SCHEMBL10209001 1.00 TDP1 (0.31) TDP1
SCHEMBL12269509 0.96 TDP1 (0.32) TDP1
SCHEMBL14186221 0.94
SCHEMBL10208802 0.94
SCHEMBL14970039 0.94
SCHEMBL10208864 0.94 APLNR (0.31)
SCHEMBL10266072 0.93
SCHEMBL14186192 0.93
SCHEMBL10265384 0.93

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed