SCHEMBL24848485

SCHEMBL24848485

C/C=C/c1cc(C)cnc1SC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
NOS2 P35228 2/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL18634102 0.76 NOS2 (0.35) NOS2CCR1CCR5CCR8NOS3
SCHEMBL21711156 0.71 NOS3 (0.48) SMN1; SMN2NOS2CCR1CCR5CCR8
SCHEMBL23732288 0.70 NOS2 (0.34) NOS2CCR1CCR5CCR8NOS3
SCHEMBL26382871 0.69 NOS2 (0.34) NOS2CCR1CCR5CCR8NOS3
SCHEMBL20320657 0.69 NOS2 (0.31) NOS2CCR1CCR5CCR8NOS3
SCHEMBL21392754 0.68 CCR1 (0.35) SMN1; SMN2NOS2CCR1CCR5CCR8
SCHEMBL14421997 0.67 NOS2 (0.31) NOS2CCR1CCR5CCR8NOS3
SCHEMBL13771122 0.67 NOS2 (0.31) NOS2CCR1CCR5CCR8NOS3
SCHEMBL7235627 0.64 NOS2 (0.45) NOS2CCR1CCR5CCR8NOS3
SCHEMBL7235622 0.64 NOS2 (0.45) NOS2CCR1CCR5CCR8NOS3

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-2022246459-A9 COMBINATION THERAPY GENENTECH, INC. (US) 2023-01-05 WO disclosed