SCHEMBL16631746

SCHEMBL16631746

CCc1cc2c(F)c(F)c(C)[nH]c-2nc1=O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.32
SLC9A1 P19634 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
HSP90AA1 P07900 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
PKM P14618 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
SCHEMBL16631912 0.89 HSP90AA1 (0.33) SLC9A1HCAR2HSP90AA1GRIN2DGRIN3B
SCHEMBL18081954 0.82 NPC1 (0.33) SLC9A1
SCHEMBL18080472 0.77 TRPV1 (0.32)
SCHEMBL16631452 0.73 L3MBTL1 (0.33) SLC9A1HSP90AA1
SCHEMBL16631430 0.73 KDM4E (0.36) HCAR2
SCHEMBL18081958 0.71 JAK1 (0.30) SLC9A1
SCHEMBL18081800 0.71 SLC9A1 (0.30) SLC9A1
SCHEMBL18081969 0.69 L3MBTL1 (0.33)
SCHEMBL18081812 0.69 NPC1 (0.33)
SCHEMBL16631930 0.69 HCAR2 (0.31) HCAR2GRIN2DGRIN3BGRIN1GRIN2A

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