SCHEMBL7001607

SCHEMBL7001607

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nc(-c2ccccc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
LMNA P02545 5/20 0.56
HPGD P15428 5/20 0.56
HTT P42858 5/20 0.56
NPSR1 Q6W5P4 5/20 0.56
TSHR P16473 4/20 0.56
PKM P14618 3/20 0.56
HSD17B10 Q99714 3/20 0.56
XBP1 P17861 2/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TP53 P04637 2/20 0.53
MAPT P10636 1/20 0.53
AGTR1 P30556 1/20 0.53
RAB9A P51151 1/20 0.53
JAK2 O60674 3/20 0.51
S1PR4 O95977 1/20 0.51
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL24660448 0.90 ALDH1A1 (0.59) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL5960981 0.87 ALDH1A1 (0.59) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL7222255 0.87 ALDH1A1 (0.59) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL15875342 0.84 TDP1 (0.55) LMNATSHRSMN1; SMN2TP53S1PR4
SCHEMBL29485563 0.83 TDP1 (0.61) KMT2ASMN1; SMN2TP53MAPTTDP1
SCHEMBL21062722 0.83 LMNA (0.43) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL21062719 0.83 LMNA (0.43) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL29161752 0.82 LMNA (0.42) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL29161751 0.82 LMNA (0.42) ALDH1A1LMNAHPGDHTTNPSR1
SCHEMBL1610078 0.82 TDP1 (0.48) LMNATSHRS1PR4TDP1MAPK1

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
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 WO disclosed