SCHEMBL7259458

SCHEMBL7259458

C[C@H](O)[C@H](CCOc1cccc(-c2occ3ccccc23)c1)c1nc(C(N)=O)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 2/20 0.40
DHODH Q02127 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
PIM1 P11309 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PKN2 Q16513 1/20 0.33
PIM3 Q86V86 1/20 0.33
BRSK1 Q8TDC3 1/20 0.33
AURKB Q96GD4 1/20 0.33

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
SCHEMBL7264650 0.88 DHODH (0.34) ADADHODHSMN1; SMN2KDM4EALDH1A1
SCHEMBL7263018 0.81 ADA (0.41) ADASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL7258747 0.79 ADA (0.39) ADADHODHSMN1; SMN2KDM4EALDH1A1
SCHEMBL7258881 0.79 ADA (0.39) ADADYRK3MAP4K4PIM1RPS6KB1
SCHEMBL5671343 0.79 ADA (0.68) ADA
SCHEMBL7258788 0.79 CHEK2 (0.39) ADASMN1; SMN2MAPTDYRK3MAP4K4
SCHEMBL7448841 0.78 ALDH1A1 (0.42) ADASMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL7258984 0.78 CHEK2 (0.41) ADAMKNK2CHEK2SCN9ACHEK1
SCHEMBL7264346 0.76 ATP4A (0.38) ADASMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL7259601 0.75 ADA (0.44) ADASMN1; SMN2KDM4EALDH1A1LMNA

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
WO-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO claimed
WO-2003006437-A1 IMIDAZOLE DERIVATIVES AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-23 WO disclosed