SCHEMBL16631705

SCHEMBL16631705

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PARP3 Q9Y6F1 1/20 0.33
SMPD3 Q9NY59 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
PTGDR2 Q9Y5Y4 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
SCHEMBL16631411 0.83 TNKS (0.36) TNKSPARP1TNKS2PARP2PARP3
SCHEMBL18081827 0.79 NR1I3 (0.34) MAPTALDH1A1
SCHEMBL18080497 0.75 RPS6KA3 (0.31)
SCHEMBL16631941 0.74 MAPT (0.32) MAPTKDM4EALDH1A1
SCHEMBL16631682 0.74 KMT2A (0.33) MAPT
SCHEMBL16631709 0.73 NR1I3 (0.41) MAPTKDM4EALDH1A1
SCHEMBL16631707 0.73 KMT2A (0.31) MAPT
SCHEMBL16631527 0.70 KMT2A (0.33) MAPT
SCHEMBL18081931 0.69 TNKS2 (0.34) TNKSPARP1TNKS2PARP2PARP3
SCHEMBL16631679 0.69 KDM4E (0.38) KDM4EALDH1A1

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