SCHEMBL7449720

SCHEMBL7449720

C[C@H](OCc1ccccc1)[C@H](CCO)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP9 P14780 2/20 0.35
MMP8 P22894 2/20 0.35
ALOX5 P09917 1/20 0.34
ROCK1 Q13464 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
ADA P00813 2/20 0.33
RCE1 Q9Y256 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PSMB5 P28074 1/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.32

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
SCHEMBL7448692 0.91 ADA (0.38) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7453359 0.90 PDE4A (0.37) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7452297 0.86 DAO (0.35) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7548118 0.86 MMP9 (0.32) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7457345 0.84 ADA (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7449547 0.84 ADA (0.45) SLC1A3SLC1A2SLC1A1MEN1KMT2A
SCHEMBL7453012 0.83 ADA (0.48) MEN1KMT2AALOX5ADAALDH1A1
SCHEMBL7450783 0.82 ADA (0.44) KMT2AADAPARP1ADRB1
SCHEMBL7449954 0.82 KMT2A (0.39) MEN1KMT2AALDH1A1
SCHEMBL7846122 0.82 KMO (0.41) MEN1CYP1A2KMT2AROCK1MYLK4

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
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed