SCHEMBL16631411

SCHEMBL16631411

CCc1cc2cc(F)c(F)[nH]c-2nc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.36
PARP1 P09874 4/20 0.36
TNKS2 Q9H2K2 4/20 0.36
PARP2 Q9UGN5 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
SMPD3 Q9NY59 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
ADORA2B P29275 2/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL16631705 0.83 TNKS (0.33) TNKSPARP1TNKS2PARP2PARP3
SCHEMBL18081931 0.80 TNKS2 (0.34) TNKSPARP1TNKS2PARP2PARP3
SCHEMBL18080461 0.76 TRPV1 (0.35) TNKSPARP1TNKS2PARP2PARP3
SCHEMBL16631930 0.73 HCAR2 (0.31) HCAR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL16631745 0.73 HCAR2 (0.34) TNKSPARP1TNKS2PARP2HCAR2
SCHEMBL16631471 0.72 MAPK1 (0.37) TMIGD3HPGDADORA1
SCHEMBL16631519 0.69 TNKS (0.35) TNKSPARP1TNKS2PARP2ADORA1
SCHEMBL16631495 0.69 DAO (0.34) HPGD
SCHEMBL16631430 0.68 KDM4E (0.36) HCAR2HPGDCYP1A2
SCHEMBL16631918 0.67 SLC9A1 (0.35) TNKSPARP1TNKS2PARP2SMPD3

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed