SCHEMBL7444334

SCHEMBL7444334

COC(=O)c1c[nH]c([C@@H](CCc2cccc3ccccc23)[C@H](C)OCc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PSMB5 P28074 1/20 0.38
ADA P00813 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
MAPK8 P45983 4/20 0.37
MAPK9 P45984 4/20 0.37
MAPK10 P53779 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
CASP1 P29466 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 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
SCHEMBL7457097 0.92 KMT2A (0.41) KMT2APSMB5ADAKDM4EALDH1A1
SCHEMBL7449547 0.91 ADA (0.45) KMT2APSMB5ADAKDM4EALDH1A1
SCHEMBL7457345 0.91 ADA (0.45) KMT2APSMB5ADAKDM4EALDH1A1
SCHEMBL7448911 0.86 ADA (0.46) KMT2AADAKDM4EALDH1A1MAPK8
SCHEMBL7448692 0.80 ADA (0.38) KMT2AADAKDM4EALDH1A1HPGD
SCHEMBL7827666 0.80 NR3C2 (0.39) HPGD
SCHEMBL7452297 0.79 DAO (0.35) KMT2AADAALDH1A1MEN1SLC1A3
SCHEMBL7448884 0.79 SLC6A2 (0.38) ADA
SCHEMBL7450783 0.78 ADA (0.44) KMT2AADA
SCHEMBL7449954 0.76 KMT2A (0.39) KMT2AKDM4EALDH1A1HPGDTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed