SCHEMBL30836615

SCHEMBL30836615

Oc1nccc2c1CCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
LNPEP Q9UIQ6 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 3/20 0.33
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
PARP1 P09874 1/20 0.32
NLRP3 Q96P20 2/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GRIA1 P42261 1/20 0.30
GRIA2 P42262 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
SCHEMBL2624105 0.96 NOS3 (0.59) NOS3NOS1NOS2BCL2L1BAD
SCHEMBL13021590 0.74 NOS3 (0.53) NOS3NOS1NOS2BCL2L1BAD
SCHEMBL16658453 0.74 NOS2 (0.92) NOS3NOS1NOS2BCL2L1BAD
SCHEMBL19310981 0.74 NOS3 (0.53) NOS3NOS1NOS2BCL2L1BAD
SCHEMBL19444169 0.74 NOS3 (0.48) NOS3NOS1NOS2BCL2L1BAD
Hydrochloric Acid SCHEMBL16650985 0.72 NOS2 (0.88) NOS3NOS1NOS2BCL2L1BAD
SCHEMBL30474281 0.72 PNMT (0.46)
SCHEMBL29848830 0.72 NOS3 (0.47) NOS3NOS1NOS2LNPEPRXRA
SCHEMBL16651284 0.72 NOS3 (0.47) NOS3NOS1NOS2LNPEPRXRA
SCHEMBL2624104 0.70 NOS3 (0.59) NOS3NOS1NOS2BCL2L1BAD

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-2024069448-A1 SUBSTITUTED 1-ARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS, SUBSTITUTED 1-HETEROARYLAMINOCARBONYL-1'-HETEROARYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-04-04 WO disclosed