SCHEMBL13086372

SCHEMBL13086372

O=C1NCCc2ccc(B(O)O)cc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 0.58
PARP1 P09874 8/20 0.58
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
PARP11 Q9NR21 9/20 0.51
PDPK1 O15530 1/20 0.51
KDM4E B2RXH2 1/20 0.45
GRM5 P41594 2/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL2562600 0.87 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL23757293 0.83 CLK4 (0.51) PARP10PARP1F7F3GRM5
SCHEMBL246168 0.77 PARP10 (0.69) PARP10PARP1F7F3PARP11
SCHEMBL29438680 0.77 PARP10 (0.69) PARP10PARP1F7F3PARP11
SCHEMBL14984344 0.77 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL30947279 0.76 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL29267558 0.76 PARP10 (0.58) PARP10PARP1F7F3PARP11
SCHEMBL28586692 0.75 PBRM1 (0.58)
SCHEMBL29953543 0.75 DRD2 (0.44) PARP10PARP1F7F3
SCHEMBL200682 0.75 DRD2 (0.44) PARP10PARP1F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802064-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-08-12 US disclosed
US-8546564-B2 Inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
WO-2010118155-A1 INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed