SCHEMBL24047005

SCHEMBL24047005

COCOc1cnc(COC(C)=O)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
XDH P47989 1/20 0.36
MYC P01106 1/20 0.35
CYP3A4 P08684 2/20 0.34
TNFSF11 O14788 1/20 0.34
PTPN1 P18031 1/20 0.34
DPP4 P27487 2/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
P2RX3 P56373 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 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
SCHEMBL9686722 0.90 SMN1; SMN2 (0.40) SMN1; SMN2MYCCYP3A4TNFSF11DPP4
SCHEMBL9784763 0.81 SMN1; SMN2 (0.37) SMN1; SMN2MYCCYP3A4TNFSF11DPP4
SCHEMBL4133838 0.81 SMN1; SMN2 (0.37) SMN1; SMN2MYCCYP3A4TNFSF11DPP4
SCHEMBL15273810 0.79 ALDH1A1 (0.38) SMN1; SMN2TNKS2ALDH1A1RXFP1
SCHEMBL25259332 0.79 TNKS2 (0.37) SMN1; SMN2TNFSF11TNKS2ALDH1A1RXFP1
SCHEMBL24046764 0.79 PDE4A (0.39) XDHDPP4ALDH1A1P2RX3P2RX2
SCHEMBL16748702 0.75 ALDH1A1 (0.44) SMN1; SMN2CYP3A4ALDH1A1KMT2A
SCHEMBL11843092 0.74 ALOX5 (0.43) CYP3A4TNKS2ALDH1A1
SCHEMBL4135777 0.74 HSD11B1 (0.33) DPP4ALDH1A1
SCHEMBL6608408 0.73 PDE4A (0.36) XDHDPP4ALDH1A1

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
WO-2021236578-A1 CHROMEN-4-ONE DERIVATIVES, SUCH AS E.G. FLAVONES, FOR USE AS CK2 INHIBITORS FOR THE TREATMENT OF NEUROINFLAMMATION SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-11-25 WO disclosed