SCHEMBL28348671

SCHEMBL28348671

Nc1nc2c(ncn2-n2nnc3c(=O)[nH]c(N)nc32)c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.50
PNP P00491 3/20 0.49
BLM P54132 2/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.49
EDNRA P25101 1/20 0.49
HTR2A P28223 1/20 0.49
RECQL P46063 1/20 0.49
HBB P68871 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TK1 P04183 2/20 0.47
HPRT1 P00492 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
VCP P55072 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL27562476 0.91 XDH (0.42) XDHPNPBLMUSP2TSHR
SCHEMBL6755679 0.90 XDH (0.41) XDHPNPBLMUSP2TSHR
SCHEMBL986800 0.85 XDH (0.60) XDHPNPBLMUSP2TSHR
SCHEMBL15005119 0.83 XDH (0.59) XDHPNPBLMUSP2TSHR
SCHEMBL3953063 0.82 XDH (0.38) XDHPNPBLMUSP2TSHR
SCHEMBL9241289 0.76 XDH (0.50) XDHPNPBLMUSP2TSHR
SCHEMBL1825531 0.75 XDH (0.51) XDHPNPBLMUSP2TSHR
SCHEMBL10835122 0.75 XDH (0.61) XDHPNPBLMUSP2TSHR
SCHEMBL72147 0.74 XDH (0.50) XDHPNPBLMUSP2TSHR
SCHEMBL1831279 0.74 XDH (0.50) XDHPNPBLMUSP2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858949-A RNAi agents for inhibiting expression of mucin 5AC (MUC 5 AC), compositions thereof, and methods of use thereof 箭头药业股份有限公司 2024-04-09 CN disclosed
CN-110740994-A Peptide Nucleic Acid (PNA) monomers with orthogonally protected ester moieties 特鲁科德基因修复公司 2020-01-31 CN disclosed