SCHEMBL16631937

SCHEMBL16631937

CCc1cc2ncc(C)[nH]c-2nc1=S

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.33
OPRK1 P41145 1/20 0.33
MAPT P10636 4/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMPD3 Q9NY59 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
HIF1A Q16665 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
SCHEMBL16631936 0.83 HIF1A (0.33) KDM4EMAPTSMPD3ALDH1A1LMNA
SCHEMBL18081816 0.80 KDM4E (0.41) KDM4EKMT2AOPRK1MAPTSMPD3
SCHEMBL16631938 0.76 KMT2A (0.36) KDM4EKMT2AOPRK1MAPTRXFP1
SCHEMBL18080548 0.75 KDM4E (0.37) KDM4EKMT2AOPRK1MAPTSMPD3
SCHEMBL16631941 0.74 MAPT (0.32) KDM4EKMT2AMAPTRXFP1ALDH1A1
SCHEMBL16631709 0.73 NR1I3 (0.41) KDM4EKMT2AMAPTRXFP1ALDH1A1
SCHEMBL18081949 0.70 SMPD3 (0.35) KDM4EMAPTSMPD3HIF1A
SCHEMBL16631922 0.67 L3MBTL1 (0.35) KDM4EKMT2AOPRK1MAPTRXFP1
SCHEMBL18080542 0.66 SMPD3 (0.32) KDM4ESMPD3HIF1A
SCHEMBL16631707 0.64 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