SCHEMBL29951407

SCHEMBL29951407

CNc1c(OC2CC2)ccnc1C=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SCD O00767 1/20 0.36
IDO1 P14902 1/20 0.34
AR P10275 10/20 0.34
KMO O15229 2/20 0.33
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
CDC42BPB Q9Y5S2 1/20 0.31
ACACB O00763 1/20 0.31
KAT2B Q92831 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
RORC P51449 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
SCHEMBL29956219 0.79 KAT2B (0.42) SCDIDO1ARKAT2BBAZ2B
SCHEMBL29957854 0.77 SCD (0.36) POLBSCDIDO1ARKMO
SCHEMBL29952864 0.77 POLB (0.36) POLBSCDIDO1ARKMO
SCHEMBL29951053 0.77 KMO (0.41) POLBSCDIDO1ARKMO
SCHEMBL29951320 0.77 SCD (0.32) POLBSCD
SCHEMBL29952825 0.75 MKNK1 (0.38) POLBSCDIDO1ARKMO
SCHEMBL29954270 0.73 LOX (0.38) POLBSCDIDO1ARKMO
SCHEMBL29955753 0.73 SCD (0.42) POLBSCDKMO
SCHEMBL29952646 0.73 TLR2 (0.39) POLBKAT2BBAZ2B
SCHEMBL25347338 0.73

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