SCHEMBL5255776

SCHEMBL5255776

C=CCONC1CN(C(=O)O)Cc2ncccc21

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.32
NAMPT P43490 5/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TBXAS1 P24557 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30

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
SCHEMBL5225649 0.86 POLB (0.38) NAMPTKDM4EPOLB
SCHEMBL4696280 0.77 NPC1 (0.41)
SCHEMBL5255401 0.76
SCHEMBL5253996 0.76 TP53 (0.33)
SCHEMBL5253467 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5257162 0.75
SCHEMBL5254049 0.74
SCHEMBL5252961 0.72
SCHEMBL5255225 0.72 DPP8 (0.35) HSD11B1NAMPTCHRNB2CHRNB4CHRNA3
SCHEMBL5253676 0.71 ACE (0.36) KDM4EALDH1A1CYP1A2POLBCYP2D6

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-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed