SCHEMBL27003076

SCHEMBL27003076

NC(=Nc1ccccc1)Nc1ccc(F)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.76
GRIN2D O15399 5/20 0.76
GRIN3B O60391 5/20 0.76
GRIN1 Q05586 5/20 0.76
GRIN2A Q12879 5/20 0.76
GRIN2B Q13224 5/20 0.76
GRIN2C Q14957 5/20 0.76
GRIN3A Q8TCU5 5/20 0.76
LMNA P02545 1/20 0.76
CYP2D6 P10635 1/20 0.76
SLC6A2 P23975 1/20 0.76
KMT2A Q03164 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
ADRA2A P08913 5/20 0.56
NOS1 P29475 2/20 0.53
ALDH1A1 P00352 1/20 0.48
NOS2 P35228 1/20 0.48

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
SCHEMBL809224 0.87 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL78658 0.87 SIGMAR1 (1.00) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL8157616 0.85 SIGMAR1 (0.96) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
Bromide SCHEMBL30258978 0.85 SIGMAR1 (0.96) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27003079 0.82 SIGMAR1 (0.83) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27003083 0.82 SIGMAR1 (0.76) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27003090 0.81 SIGMAR1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27003078 0.81 SIGMAR1 (0.69) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4104665 0.79 SIGMAR1 (0.71) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4981137 0.76 SIGMAR1 (0.66) SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305096-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS Dupont Specialty Products USA, LLC (US) 2024-01-17 EP disclosed
WO-2022192006-A1 FLUOROELASTOMERS COMPOSITION COMPRISING CURING AGENTS DUPONT POLYMERS, INC. (US) 2022-09-15 WO disclosed