SCHEMBL16631682

SCHEMBL16631682

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

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
HCAR2 Q8TDS4 1/20 0.31
MAPT P10636 2/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL18081968 0.85 NR1I3 (0.33) MAPT
SCHEMBL16631745 0.84 HCAR2 (0.34) HCAR2
SCHEMBL18080511 0.78
SCHEMBL18081755 0.76 HPGD (0.36) MAPT
SCHEMBL16631924 0.75 NR1I3 (0.31)
SCHEMBL16631705 0.74 TNKS (0.33) MAPT
SCHEMBL16631709 0.72 NR1I3 (0.41) KMT2AMAPTRXFP1
SCHEMBL18080476 0.69 PDE2A (0.34)
SCHEMBL16631841 0.69 PYGL (0.37) MAPT
SCHEMBL16631527 0.69 KMT2A (0.33) KMT2AMAPTRXFP1

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