SCHEMBL4453299

SCHEMBL4453299

O=C(O)c1cccc2ncn(CCO)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
EGLN3 Q9H6Z9 1/20 0.43
DHODH Q02127 1/20 0.42
AGER Q15109 1/20 0.41
LMNA P02545 2/20 0.39
ADORA2B P29275 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
PABPC1 P11940 1/20 0.38
KMT2A Q03164 1/20 0.38
APAF1 O14727 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FGFR1 P11362 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL309078 0.87 DPP4 (0.41) DPP4DPP8EGLN3LMNAADORA2B
SCHEMBL12894983 0.83 DHODH (0.43) DPP4DPP8EGLN3DHODHAGER
SCHEMBL3042449 0.83 LMNA (0.43) DPP4DPP8LMNAADORA2BMEN1
SCHEMBL28442608 0.81 CYP11B1 (0.54) DPP4ADORA2BMEN1TP53PABPC1
SCHEMBL7425056 0.78 DHODH (0.49) DPP4DPP8EGLN3DHODHAGER
SCHEMBL14291769 0.78 DPP4 (0.49) DPP4DPP8EGLN3LMNAADORA2B
SCHEMBL308832 0.76 DPP4 (0.58) DPP4DPP8EGLN3LMNAADORA2B
SCHEMBL3029115 0.76 PRPS1 (0.51) DPP4DPP8EGLN3LMNAADORA2B
Hydrochloric Acid SCHEMBL7426484 0.76 DHODH (0.48) DPP4DPP8EGLN3DHODHAGER
SCHEMBL307334 0.76 DPP4 (0.45) DPP4DPP8EGLN3LMNAADORA2B

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
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP claimed