SCHEMBL29956546

SCHEMBL29956546

Cc1c(C=O)ccnc1O

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
ERN1 O75460 8/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
IDO1 P14902 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TRIM24 O15164 3/20 0.35
TRIM33 Q9UPN9 3/20 0.35
TSHR P16473 1/20 0.35
KCNJ1 P48048 1/20 0.33
TYR P14679 2/20 0.32

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
SCHEMBL7675195 0.78 CCR1 (0.48) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL4796219 0.78 CCR1 (0.54) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL737167 0.77 CCR1 (0.47) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL29956349 0.77 CCR1 (0.47) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL29953596 0.77 CCR1 (0.47) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL17984974 0.75 NOS2 (0.54) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL29955484 0.75 CCR1 (0.45) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL28135507 0.75 TRIM24 (0.53) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL29956056 0.75 CCR1 (0.45) CCR1CCR5CCR8ERN1KDM4E
SCHEMBL29950826 0.75 CCR1 (0.45) CCR1CCR5CCR8ERN1KDM4E

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