SCHEMBL8713672

SCHEMBL8713672

CCCCc1c(C)ccnc1N

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.82
NOS3 P29474 4/20 0.69
TLR8 Q9NR97 6/20 0.47
SKP2 Q13309 1/20 0.42
NOS1 P29475 1/20 0.41
TLR7 Q9NYK1 6/20 0.40

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
SCHEMBL21806238 0.93 NOS2 (0.77) NOS2NOS3TLR8NOS1TLR7
SCHEMBL21543718 0.90 NOS2 (1.00) NOS2NOS3TLR8NOS1
SCHEMBL30154750 0.90 NOS2 (1.00) NOS2NOS3TLR8NOS1
Hydrochloric Acid SCHEMBL7049624 0.89 NOS2 (0.96) NOS2NOS3TLR8NOS1
SCHEMBL30664052 0.82 NOS2 (1.00) NOS2NOS3TLR8NOS1
SCHEMBL11743612 0.82 NOS2 (1.00) NOS2NOS3TLR8NOS1
Hydrochloric Acid SCHEMBL7048556 0.80 NOS2 (0.96) NOS2NOS3TLR8NOS1
SCHEMBL9488515 0.79 NOS2 (0.58) NOS2NOS3TLR8SKP2TLR7
SCHEMBL7008513 0.78 NOS2 (0.52) NOS2NOS3TLR8SKP2
SCHEMBL28814991 0.78 NOS2 (0.51) NOS2NOS3TLR8SKP2TLR7

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
US-5846720-A Methods of determining chemicals that modulate expression of genes associated with cardiovascular disease ONCOGENE SCIENCE, INC. (US) 1998-12-08 US disclosed