SCHEMBL28434860

SCHEMBL28434860

C=CC(=O)NCNC(=O)C=C.NCCN1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRM5 P08912 2/20 0.36
CHRM3 P20309 2/20 0.36
ALOX15 P16050 1/20 0.35
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
F13A1 P00488 1/20 0.35
TGM2 P21980 1/20 0.35
TGM1 P22735 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ITGB3 P05106 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
SCHEMBL15032035 0.84 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL16574882 0.82 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1TDP1HSD17B10
Acrylamide SCHEMBL25206068 0.82 ALOX15 (0.41) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL730168 0.81 HSD17B10 (0.54) ALDH1A1TSHRMAPK1TDP1HSD17B10
SCHEMBL2733785 0.77 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1TDP1HSD17B10
Bicarbonate SCHEMBL16668577 0.76 ALOX15 (0.50) ALDH1A1TDP1HSD17B10MEN1KMT2A
SCHEMBL16574887 0.76 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1TDP1HSD17B10
Formaldehyde SCHEMBL7056596 0.76 ALOX15 (0.55) HSD17B10MEN1KMT2AALOX15ANPEP
SCHEMBL15032034 0.75 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1TDP1HSD17B10
Carbamic Acid SCHEMBL10977422 0.75 ALOX15 (0.48) ALDH1A1TDP1HSD17B10MEN1KMT2A

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-111491982-B Nitric oxide-releasing hyperbranched compounds as antibacterial scaffolds and methods related thereto 北卡罗来纳大学查佩尔希尔分校 2023-04-18 CN disclosed
CN-111491982-A Nitric oxide-releasing hyperbranched compounds as antibacterial scaffolds and methods related thereto 北卡罗来纳大学查佩尔希尔分校 2020-08-04 CN disclosed