SCHEMBL6170680

SCHEMBL6170680

COC(=O)c1cn([C@H](CCc2cccc3ccccc23)[C@H](C)OCc2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADA P00813 8/20 0.58
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSMB5 P28074 1/20 0.36
AKR1B1 P15121 1/20 0.35
MEN1 O00255 1/20 0.35
SIGMAR1 Q99720 1/20 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
SCHEMBL7667837 0.92 ADA (0.61) ADAKMT2APSMB5AKR1B1
SCHEMBL6169932 0.90 ADA (0.73) ADAKMT2AMEN1
SCHEMBL6173047 0.90 ADA (0.73) ADAKMT2AMEN1
SCHEMBL6169583 0.90 ADA (0.73) ADAKMT2AMEN1
SCHEMBL7659584 0.87 ADA (0.54) ADAKMT2ASIGMAR1
SCHEMBL7661722 0.86 ADA (0.78) ADA
SCHEMBL6170051 0.85 ADA (0.65) ADAKMT2AMEN1SIGMAR1
SCHEMBL6133576 0.81 ADA (0.60) ADA
SCHEMBL6133486 0.81 ADA (0.60) ADA
SCHEMBL6169449 0.79 ADA (0.60) ADA

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-B9 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-18 EP disclosed
EP-1098885-B1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-17 EP disclosed
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed