SCHEMBL29955522

SCHEMBL29955522

Nc1nccc(C=O)c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
NOS3 P29474 4/20 0.36
NOS2 P35228 4/20 0.36
ERN1 O75460 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
NOS1 P29475 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
USP7 Q93009 1/20 0.31
MAP4K4 O95819 1/20 0.30
LOXL2 Q9Y4K0 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
SCHEMBL17506332 0.79 CCR1 (0.42) CCR1CCR5CCR8ERN1TRIM24
SCHEMBL29954308 0.74 CCR1 (0.41) CCR1CCR5CCR8NOS3NOS2
SCHEMBL22350973 0.74 CCR1 (0.48) CCR1CCR5CCR8NOS3NOS2
SCHEMBL1491842 0.74 NOS2 (0.42) NOS3NOS2TLR7NOS1HTT
SCHEMBL28260284 0.73 TDP1 (0.41) ERN1TRIM24TRIM33
SCHEMBL9207153 0.72 CCR1 (0.47) CCR1CCR5CCR8NOS3NOS2
SCHEMBL21856017 0.72 NOS3 (0.41) NOS3NOS2TLR7NOS1HTT
SCHEMBL29506010 0.72 NOS3 (0.41) NOS3NOS2TLR7NOS1HTT
SCHEMBL12480470 0.72 CCR1 (0.42) CCR1CCR5CCR8ERN1TRIM24
SCHEMBL3945531 0.71 NOTUM (0.39) NOS3NOS2NOS1USP7LOXL2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed