SCHEMBL28832020

SCHEMBL28832020

CSc1nc(NC(C)C)nc(NC(C)CC(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 2/20 0.42
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.38
GAA P10253 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
PKM P14618 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
HTT P42858 1/20 0.36
KCNH3 Q9ULD8 1/20 0.35
MAPT P10636 2/20 0.35

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
Prometryn SCHEMBL7657627 0.80 MAPK1 (0.56) SMN1; SMN2TSHRHSD17B10MAPK1CYP2C9
Prometryn SCHEMBL7622 0.80 MAPK1 (0.56) SMN1; SMN2TSHRHSD17B10MAPK1CYP2C9
Prometryn SCHEMBL19463434 0.79 SMN1; SMN2 (0.41) SMN1; SMN2TSHRHSD17B10MAPK1CYP2C9
Prometryn SCHEMBL367101 0.79 MAPK1 (0.58) SMN1; SMN2TSHRHSD17B10MAPK1CYP2C9
SCHEMBL10957595 0.79 MAPK1 (0.47) SMN1; SMN2TSHRHSD17B10MAPK1CYP2C9
Prometryn SCHEMBL20723870 0.78 SMN1; SMN2 (0.40) SMN1; SMN2TSHRHSD17B10MAPK1CYP2C9
Prometryn SCHEMBL20723889 0.78 GAA (0.58) SMN1; SMN2TSHRHSD17B10MAPK1ALDH1A1
Prometryn SCHEMBL5542826 0.77 TSHR (0.48) SMN1; SMN2TSHRHSD17B10MAPK1CYP2C9
Ametryne SCHEMBL18115242 0.73 ALDH1A1 (0.44) SMN1; SMN2TSHRHSD17B10CYP2C9ALDH1A1
SCHEMBL29435432 0.73 MAPK1 (0.50) SMN1; SMN2TSHRHSD17B10MAPK1ALDH1A1

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-114853687-A Prometryn hapten, complete antigen, antibody, preparation method and application 中国农业科学院农业质量标准与检测技术研究所 2022-08-05 CN disclosed