SCHEMBL29956097

SCHEMBL29956097

O=Cc1ccnc(C=O)n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
MPI P34949 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC10A1 Q14973 1/20 0.32
GRM4 Q14833 1/20 0.31
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30
S1PR4 O95977 1/20 0.30
FGFR4 P22455 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
SCHEMBL6750865 1.00 CCR1 (0.44) CCR1ALDH1A1CCR5CCR8MPI
SCHEMBL4585500 0.78 CCR1 (0.46) CCR1ALDH1A1CCR5CCR8MPI
SCHEMBL12672459 0.74
SCHEMBL1128711 0.74
SCHEMBL5108583 0.74
SCHEMBL1717209 0.74
SCHEMBL6791381 0.74
SCHEMBL3128568 0.74
SCHEMBL2051841 0.74
SCHEMBL1474026 0.74

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