SCHEMBL16366335

SCHEMBL16366335

Cc1cccc2c(=O)[nH]c(CCN3CCC[C@@H]3CO)nc12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.66
PDE10A Q9Y233 1/20 0.56
PARP14 Q460N5 15/20 0.56
PARP2 Q9UGN5 2/20 0.54

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
SCHEMBL16366312 0.88 PDE10A (0.54) PARP1PDE10APARP14PARP2
SCHEMBL1946020 0.79 PARP1 (1.00) PARP1PARP14
SCHEMBL1945766 0.79 PARP1 (1.00) PARP1PARP14
SCHEMBL3443321 0.79 PARP1 (1.00) PARP1PARP14
SCHEMBL30417469 0.79 PARP1 (1.00) PARP1PARP14
SCHEMBL30090665 0.79 PARP1 (1.00) PARP1PARP14
Bromide SCHEMBL1944264 0.78 PARP1 (0.98) PARP1PARP14
Bromide SCHEMBL1944266 0.78 PARP1 (0.98) PARP1PARP14
Hydrochloric Acid SCHEMBL1946669 0.78 PARP1 (0.98) PARP1PARP14
Hydrochloric Acid SCHEMBL1946668 0.78 PARP1 (0.98) PARP1PARP14

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
WO-2014204856-A1 FATTY ACID ANTICANCER DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2014-12-24 WO disclosed