SCHEMBL16631912

SCHEMBL16631912

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

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.31
SLC9A1 P19634 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL16631746 0.89 MAP4K1 (0.32) HSP90AA1SLC9A1HCAR2GRIN2DGRIN3B
SCHEMBL16631452 0.84 L3MBTL1 (0.33) HSP90AA1SLC9A1
SCHEMBL18081958 0.83 JAK1 (0.30) SLC9A1
SCHEMBL18080470 0.78 TRPV1 (0.32)
SCHEMBL16631496 0.72
SCHEMBL16631430 0.72 KDM4E (0.36) HCAR2
SCHEMBL16631707 0.72 KMT2A (0.31)
SCHEMBL18081954 0.71 NPC1 (0.33) SLC9A1
SCHEMBL18081800 0.70 SLC9A1 (0.30) SLC9A1
SCHEMBL16631392 0.70 NPC1 (0.30)

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