SCHEMBL29954891

SCHEMBL29954891

CC#Cc1cc(C#N)cc(B(O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.48
TTR P02766 2/20 0.36
ALB P02768 2/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
P4HB P07237 1/20 0.31
GRM5 P41594 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
SCHEMBL27908 0.85 ENPP2 (0.61) ENPP2TTRALBMEN1KMT2A
SCHEMBL15602898 0.81 ENPP2 (0.61) ENPP2TTRALBMEN1KMT2A
SCHEMBL18560100 0.76 ENPP2 (0.52) ENPP2TTRALBMEN1KMT2A
SCHEMBL16398417 0.76 ENPP2 (0.52) ENPP2TTRALBMEN1KMT2A
SCHEMBL3326314 0.76 ENPP2 (0.52) ENPP2TTRALBMEN1KMT2A
Hydrochloric Acid SCHEMBL1822353 0.74 ENPP2 (0.50) ENPP2TTRALBMEN1KMT2A
1,3-Propanediol SCHEMBL29185453 0.74 ENPP2 (0.50) ENPP2TTRALBMEN1KMT2A
SCHEMBL29952148 0.74 ENPP2 (0.53) ENPP2TTRALBMEN1KMT2A
SCHEMBL1979138 0.74 TTR (0.40) TTRALBMEN1KMT2AGRM5
SCHEMBL874242 0.72 ENPP2 (0.52) ENPP2GRM5

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