SCHEMBL17833266

SCHEMBL17833266

Cc1ccc(-c2cccc(-c3nc4c(C)cccc4c(=O)[nH]3)c2)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNKS O95271 15/20 0.64
TNKS2 Q9H2K2 15/20 0.64
PARP1 P09874 12/20 0.64
PARP2 Q9UGN5 4/20 0.61
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45

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
SCHEMBL17829760 0.87 TNKS (0.69) TNKSTNKS2PARP1PARP2
SCHEMBL17833265 0.84 TNKS (0.72) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL17833234 0.83 TNKS (0.73) TNKSTNKS2PARP1PARP2
SCHEMBL17833163 0.82 TNKS (0.69) TNKSTNKS2PARP1PARP2MGAM
SCHEMBL17829762 0.81 TNKS (0.69) TNKSTNKS2PARP1PARP2
SCHEMBL15775325 0.79 TNKS (1.00) TNKSTNKS2PARP1PARP2
SCHEMBL17831876 0.78 TNKS (0.57) TNKSTNKS2PARP1PARP2MGAM
SCHEMBL17829771 0.78 TNKS (0.63) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL17829757 0.78 TNKS (0.65) TNKSTNKS2PARP1PARP2
SCHEMBL15775476 0.77 TNKS (1.00) TNKSTNKS2PARP1PARP2

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-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 WO disclosed