SCHEMBL29954852

SCHEMBL29954852

CNC(=O)c1nccc(C=O)c1OC1CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.43
KIT P10721 1/20 0.36
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
EPHX2 P34913 2/20 0.35
AXL P30530 1/20 0.33
MERTK Q12866 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
LRRK2 Q5S007 1/20 0.33
PDE10A Q9Y233 1/20 0.32
GRM4 Q14833 2/20 0.32
TYK2 P29597 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL29951693 0.83 KMO (0.36) SCDPOLB
SCHEMBL29953450 0.82 PARP10 (0.38) SCDBRAFPOLB
SCHEMBL29955013 0.79 SCD (0.41) SCDKITKAT2BBAZ2BAXL
SCHEMBL29951305 0.78 CCR1 (0.34) SCDLRRK2TYK2POLB
SCHEMBL29953161 0.77 KAT2B (0.50) SCDKAT2BBAZ2B
SCHEMBL29953922 0.76 KAT2B (0.41) SCDKAT2BBAZ2BEPHX2RAF1
SCHEMBL29958429 0.74 SCD (0.38) SCDKITKAT2BBAZ2BEPHX2
SCHEMBL29953031 0.73 KAT2B (0.40) SCDKITKAT2BBAZ2BEPHX2
SCHEMBL29955612 0.73 CCR1 (0.37) POLB
SCHEMBL29956219 0.72 KAT2B (0.42) SCDKAT2BBAZ2BEPHX2

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