SCHEMBL6133929

SCHEMBL6133929

NC(=O)c1cn(C[C@H](CCCOc2ccc3ccccc3c2)OCc2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADA P00813 11/20 0.52
PPARG P37231 2/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
TBXAS1 P24557 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
SCHEMBL5672336 0.92 ADA (0.45) ADAPPARGPPARDPPARAMRGPRX4
SCHEMBL5671012 0.91 ADA (0.44) ADAPPARGPPARAALOX5KDM4E
SCHEMBL5672381 0.89 ADA (0.41) ADAPPARGPPARAKDM4EALDH1A1
SCHEMBL6171229 0.89 ADA (0.42) ADATBXAS1
SCHEMBL5672353 0.85 LMNA (0.42) ADAMAPT
SCHEMBL5671216 0.85 ADA (0.40) ADAKMT2A
SCHEMBL6134007 0.84 ADA (0.41) ADAKDM4EALDH1A1MEN1POLB
SCHEMBL6169457 0.84 ADA (0.49) ADAKMT2ATBXAS1
SCHEMBL5671897 0.84 ADA (0.47) ADAMEN1KMT2ATBXAS1
SCHEMBL6169467 0.83 ADA (0.48) ADAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US claimed
US-6908940-B2 Imidazole compounds and their use as adenosine deaminase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-21 US disclosed