SCHEMBL29954755

SCHEMBL29954755

CSCc1nccc(C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
ALDH1A1 P00352 3/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.30
MPI P34949 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
SCHEMBL29950723 0.79 ALDH1A1 (0.39) CCR1ALDH1A1NOS3NOS1NOS2
SCHEMBL24915248 0.79 ALDH1A1 (0.39) CCR1ALDH1A1NOS3NOS1NOS2
SCHEMBL29957282 0.76 ALDH1A1 (0.37) CCR1ALDH1A1NOS2KMT2AL3MBTL1
SCHEMBL28281051 0.76 ALDH1A1 (0.39) CCR1ALDH1A1KMT2AMPI
SCHEMBL29956022 0.76 ALDH1A1 (0.39) CCR1ALDH1A1KMT2AMPI
SCHEMBL29950759 0.76 SORD (0.46) CCR1ALDH1A1KMT2AMPI
SCHEMBL2558361 0.75 ALDH1A1 (0.36) CCR1ALDH1A1KMT2AMPI
SCHEMBL29956619 0.75 ALDH1A1 (0.36) CCR1ALDH1A1KMT2AGAAMPI
SCHEMBL29955867 0.74 ALDH1A1 (0.35) CCR1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL2557221 0.72 FGFR4 (0.36) CCR1ALDH1A1KMT2AMPI

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