SCHEMBL28857685

SCHEMBL28857685

[N-]=[N+]=NCC(C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
POLB P06746 1/20 0.41
EPHX1 P07099 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
GAA P10253 1/20 0.39
GPR88 Q9GZN0 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL27719617 0.89 L3MBTL1 (0.41) CYP2C19L3MBTL1CYP2D6SRCPOLB
SCHEMBL19480805 0.86 ESR1 (0.40) CYP2C19L3MBTL1SRCPOLBLMNA
SCHEMBL17733788 0.84 PTGS1 (0.51) CYP2C19SMN1; SMN2L3MBTL1CYP2D6LMNA
SCHEMBL13065909 0.77 CYP2C19 (0.53) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
SCHEMBL13460409 0.77 L3MBTL1 (0.43) L3MBTL1AURKARPS6KB1GAAGPR88
Phosphoric Acid SCHEMBL29027087 0.76 ACP3 (0.44) L3MBTL1CYP2D6SRCAURKARPS6KB1
SCHEMBL15382015 0.76 LMNA (0.47) L3MBTL1LMNAGAA
SCHEMBL15382014 0.76 LMNA (0.47) L3MBTL1LMNAGAA
SCHEMBL16746745 0.76 LMNA (0.47) L3MBTL1LMNAGAA
SCHEMBL15994823 0.75 GPR88 (0.51) SMN1; SMN2L3MBTL1LMNAAURKARPS6KB1

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-107743484-A The amphyl for the treatment of cancer 麦地那创新药物研究中心基金会 2018-02-27 CN disclosed