SCHEMBL29954935

SCHEMBL29954935

CNC(=O)c1nc(C=O)ccc1OC1CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.42
BAZ2B Q9UIF8 1/20 0.42
SCD O00767 6/20 0.38
RORC P51449 1/20 0.36
NTRK1 P04629 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
AXL P30530 1/20 0.34
MERTK Q12866 1/20 0.34
JAK2 O60674 1/20 0.33
TBK1 Q9UHD2 1/20 0.33

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
SCHEMBL29950889 0.83 KMO (0.39) RORCPDE4APDE4BPDE4CPDE4D
SCHEMBL29954305 0.82 PARP10 (0.39) SCDRORCNTRK1PDE4APDE4B
SCHEMBL29957224 0.77 POLB (0.35) KAT2BBAZ2BRORC
SCHEMBL29951510 0.76 KAT2B (0.42) KAT2BBAZ2BRORCPDE4APDE4B
SCHEMBL29955013 0.75 SCD (0.41) KAT2BBAZ2BSCDAXLMERTK
SCHEMBL29956100 0.72 KAT2B (0.50) KAT2BBAZ2BRORC
SCHEMBL29953789 0.72 CCR1 (0.37) RORC
SCHEMBL29955295 0.72 KAT2B (0.44) KAT2BBAZ2BRORCPDE4APDE4B
SCHEMBL29950922 0.72 KAT2B (0.39) KAT2BBAZ2BSCDRORCNTRK1
SCHEMBL29956483 0.71 KAT2B (0.43) KAT2BBAZ2BRORCPDE4APDE4B

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