SCHEMBL28297087

SCHEMBL28297087

CCCCCCOn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 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
HPRT1 P00492 6/20 0.47
TK1 P04183 1/20 0.47
XDH P47989 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
NFKB1 P19838 1/20 0.45
VCP P55072 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL27503506 0.90 PNP (0.53) PNPMEN1KMT2ABLMUSP2
SCHEMBL9183268 0.86 MEN1 (0.48) PNPMEN1KMT2ABLMUSP2
SCHEMBL4242268 0.85 TK1 (0.62) PNPMEN1KMT2ABLMUSP2
SCHEMBL15643286 0.84 MEN1 (0.58) PNPMEN1KMT2ABLMUSP2
SCHEMBL8742556 0.84 MEN1 (0.48) PNPMEN1KMT2ABLMUSP2
SCHEMBL9685484 0.83 PNP (0.53) PNPMEN1KMT2AHPRT1
SCHEMBL8781788 0.83 PNP (0.64) PNPMEN1KMT2ABLMUSP2
SCHEMBL9183369 0.82 PNP (0.49) PNPMEN1KMT2ABLMUSP2
SCHEMBL9683440 0.82 PNP (0.70) PNPHPRT1
SCHEMBL9683715 0.82 PNP (0.52) PNPMEN1KMT2AHPRT1

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
CN-109851846-A A kind of antibacterial sodium alginate cross-linking sponge and its preparation method and application 广东医科大学 2019-06-07 CN disclosed