SCHEMBL29953060

SCHEMBL29953060

CNc1cc(C=O)ncc1OC1CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
LRRK2 Q5S007 2/20 0.31
RORC P51449 1/20 0.31
CSF1R P07333 4/20 0.31
TYK2 P29597 2/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL29957238 0.90 POLB (0.36) POLBLRRK2RORCCSF1RTYK2
SCHEMBL29950803 0.80 POLB (0.37) POLB
SCHEMBL29955487 0.79 KAT2B (0.44) POLBRORCTYK2
SCHEMBL29955295 0.76 KAT2B (0.44) POLBRORCTYK2
SCHEMBL29951667 0.75 POLB (0.36) POLB
SCHEMBL73312 0.75 PDE4B (0.46) POLB
SCHEMBL29955297 0.75 POLB (0.42) POLB
SCHEMBL29954303 0.75 POLB (0.36) POLB
SCHEMBL29957290 0.75 POLB (0.36) POLB
SCHEMBL29953879 0.74 ALDH1A1 (0.42) POLBRORC

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