SCHEMBL28627682

SCHEMBL28627682

C=CC(=O)n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.50
XDH P47989 6/20 0.49
PNP P00491 5/20 0.48
BLM P54132 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
EDNRA P25101 1/20 0.48
HTR2A P28223 1/20 0.48
RECQL P46063 1/20 0.48
HBB P68871 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
NFKB1 P19838 1/20 0.46
VCP P55072 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL4657411 0.87 TK1 (0.51) TK1XDHPNPBLMUSP2
SCHEMBL27923065 0.84 XDH (0.55) TK1XDHPNPBLMUSP2
SCHEMBL27541246 0.84 XDH (0.58) TK1XDHPNPBLMUSP2
SCHEMBL4446276 0.82 XDH (0.54) TK1XDHPNPBLMUSP2
SCHEMBL218668 0.81 XDH (0.53) TK1XDHPNPBLMUSP2
SCHEMBL5694066 0.80 PNP (0.48) TK1XDHPNPBLMUSP2
SCHEMBL28559766 0.80 XDH (0.49) TK1XDHPNPBLMUSP2
SCHEMBL7765224 0.79 TK1 (0.57) TK1XDHPNPBLMUSP2
SCHEMBL5694190 0.78 XDH (0.60) TK1XDHPNPBLMUSP2
SCHEMBL2940017 0.78 XDH (0.52) TK1XDHPNPBLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113413483-B Adhesive-non-adhesive integrated hydrogel, preparation method thereof and application thereof in wound repair 四川大学 2022-07-05 CN claimed
CN-113413483-A Adhesive-non-adhesive integrated hydrogel, preparation method thereof and application thereof in wound repair 四川大学 2021-09-21 CN claimed
CN-113413483-B Adhesive-non-adhesive integrated hydrogel, preparation method thereof and application thereof in wound repair 四川大学 2022-07-05 CN disclosed
CN-113413483-A Adhesive-non-adhesive integrated hydrogel, preparation method thereof and application thereof in wound repair 四川大学 2021-09-21 CN disclosed