SCHEMBL29957540

SCHEMBL29957540

Nc1c(C=O)ccnc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.45
CCR5 P51681 1/20 0.45
CCR8 P51685 1/20 0.45
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ERN1 O75460 1/20 0.31
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
HSP90AA1 P07900 1/20 0.30
IDO1 P14902 1/20 0.30
RAB9A P51151 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
SCHEMBL22350973 0.78 CCR1 (0.48) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL29953393 0.77 CCR1 (0.47) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL13257417 0.77 CCR1 (0.47) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL16237972 0.75 CCR1 (0.45) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL28291043 0.75 TRIM24 (0.53) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL17984975 0.75 CCR1 (0.45) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL29952854 0.75 TRIM24 (0.53) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL24833024 0.71 CCR1 (0.41) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL22715435 0.71 CCR1 (0.41) CCR1CCR5CCR8TRIM24TRIM33
SCHEMBL17075277 0.71 CCR1 (0.41) CCR1CCR5CCR8TRIM24TRIM33

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