SCHEMBL29953745

SCHEMBL29953745

CNC(=O)c1ccc(OC2CC2)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.43
BAZ2B Q9UIF8 1/20 0.43
HRH3 Q9Y5N1 7/20 0.40
EPHX2 P34913 4/20 0.39
RAF1 P04049 2/20 0.38
FAAH O00519 1/20 0.38
HIF1A Q16665 1/20 0.37
PARP10 Q53GL7 1/20 0.37
ABL1 P00519 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL29957772 0.89 KAT2B (0.43) KAT2BBAZ2BHRH3EPHX2RAF1
SCHEMBL29956935 0.82 MAOB (0.44) HRH3EPHX2FAAHHIF1APARP10
SCHEMBL29955096 0.81 PARP10 (0.50) HRH3HIF1APARP10ABL1ERN1
SCHEMBL29957646 0.81 ERN1 (0.56) ERN1
SCHEMBL29950762 0.77 ERN1 (0.36) HRH3PARP10ABL1ERN1
SCHEMBL29953161 0.76 KAT2B (0.50) KAT2BBAZ2B
SCHEMBL28173271 0.76 BRAF (0.49) ERN1
SCHEMBL29958429 0.76 SCD (0.38) KAT2BBAZ2BHRH3EPHX2RAF1
SCHEMBL29957292 0.75 KAT2B (0.52) KAT2BBAZ2B
SCHEMBL29952862 0.74 MAOB (0.44) EPHX2FAAHPARP10ABL1

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