SCHEMBL4065842

SCHEMBL4065842

COC(=O)Oc1ccc2nc(C(=O)c3ccccc3)cn2c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A3 P47895 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
METTL3 Q86U44 1/20 0.39

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
SCHEMBL4213470 0.87 EGLN1 (0.49) EGLN1ALDH1A3METTL3
SCHEMBL2127666 0.80 NPC1 (0.62) ALDH1A1KDM4ENPC1MAPTTHRB
SCHEMBL2085892 0.78 RAB9A (0.50) EGLN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL2085894 0.78 ALDH1A1 (0.64) EGLN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL2126827 0.78 ALDH1A1 (0.65) ALDH1A1KDM4ENPC1MAPTTHRB
Hydrochloric Acid SCHEMBL2086035 0.77 RAB9A (0.49) EGLN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL16686943 0.76 PIK3CG (0.45) EGLN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL2087833 0.76 PTGS1 (0.45) EGLN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL2087968 0.76 PTGS1 (0.51) EGLN1ALDH1A1KDM4ENPC1MAPT
SCHEMBL2086685 0.75 EGLN1 (0.44) EGLN1ALDH1A1KDM4ENPC1MAPT

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-2040703-B1 DERIVATIVES OF 2-BENZOYL-IMIDAZOPYRIDINES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2009-10-21 EP claimed