SCHEMBL7457345

SCHEMBL7457345

C[C@H](OCc1ccccc1)[C@H](CCc1cccc2ccccc12)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 2/20 0.45
KMT2A Q03164 2/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
PSMB5 P28074 1/20 0.37
METAP2 P50579 2/20 0.37
MTNR1A P48039 1/20 0.36
MEN1 O00255 1/20 0.36
PARP10 Q53GL7 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
ALDH1A1 P00352 2/20 0.35
METAP1 P53582 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
FFAR1 O14842 1/20 0.34
AKR1B1 P15121 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
COPS5 Q92905 1/20 0.34

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
SCHEMBL7449547 1.00 ADA (0.45) ADAKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7457097 0.93 KMT2A (0.41) ADAKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7444334 0.91 KMT2A (0.41) ADAKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7448692 0.90 ADA (0.38) ADAKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7452297 0.89 DAO (0.35) ADAKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7448884 0.88 SLC6A2 (0.38) ADA
SCHEMBL7450783 0.87 ADA (0.44) ADAKMT2A
SCHEMBL7827666 0.87 NR3C2 (0.39) HPGDL3MBTL1
SCHEMBL7449954 0.85 KMT2A (0.39) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL7453359 0.85 PDE4A (0.37) ADAKMT2ASLC1A3SLC1A2SLC1A1

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