SCHEMBL16631938

SCHEMBL16631938

CCc1cc2nc(C)c(C)[nH]c-2nc1=S

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
OPRK1 P41145 1/20 0.36
MAPT P10636 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMPD3 Q9NY59 1/20 0.33
NPY5R Q15761 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16631941 0.84 MAPT (0.32) KMT2AMAPTRXFP1KDM4EALDH1A1
SCHEMBL18081953 0.80 OPRK1 (0.40) KMT2AOPRK1MAPTSMPD3KDM4E
SCHEMBL16631937 0.76 KDM4E (0.37) KMT2AOPRK1MAPTRXFP1SMPD3
SCHEMBL16631922 0.74 L3MBTL1 (0.35) KMT2AOPRK1MAPTRXFP1KDM4E
SCHEMBL18080547 0.74 OPRK1 (0.36) KMT2AOPRK1MAPTSMPD3
SCHEMBL16631452 0.71 L3MBTL1 (0.33) KMT2AMAPTRXFP1KDM4E
SCHEMBL16631934 0.69 SMPD3 (0.36) SMPD3KDM4E
SCHEMBL16631709 0.68 NR1I3 (0.41) KMT2AMAPTRXFP1NPY5RKDM4E
SCHEMBL16631930 0.67 HCAR2 (0.31)
SCHEMBL16631707 0.65 KMT2A (0.31) 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