SCHEMBL1250648

SCHEMBL1250648

O=C(O)N1CC=C/C(=N/OCc2ccccc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
NAMPT P43490 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
P2RX4 Q99571 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.34
GRM5 P41594 1/20 0.34
CYP2C9 P11712 2/20 0.34
MMP1 P03956 2/20 0.34
CYP3A4 P08684 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL1250651 1.00 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL994426 0.84 STS (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL994427 0.84 STS (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20237058 0.77 NPC1 (0.48) NAMPTNPC1RAB9AP2RX4KMT2A
SCHEMBL1251172 0.77 CHRM2 (0.33) CYP3A4
SCHEMBL1249749 0.70 NPC1 (0.42) NAMPTNPC1RAB9AKMT2AMEN1
SCHEMBL1249748 0.70 NPC1 (0.42) NAMPTNPC1RAB9AKMT2AMEN1
SCHEMBL28569544 0.69 NPC1 (0.41) NAMPTNPC1RAB9AKMT2AMEN1
SCHEMBL9184668 0.68 PSEN1 (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL92054 0.65 KMT2A (0.62) PSEN1PSEN2APH1BNCSTNAPH1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279737-B1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2012-10-31 EP disclosed
EP-2279737-A1 Heterocyclic compounds that are active as beta lactamase inhibitors NOVEXEL (FR) 2011-02-02 EP disclosed
EP-1480644-B1 NOVEL HETEROCYCLIC COMPOUNDS WHICH ARE ACTIVE AS INHIBITORS OF BETA+LACTAMASES NOVEXEL (FR) 2010-10-13 EP disclosed
EP-1307457-B1 AZABICYCLIC COMPOUNDS, PREPARATION THEREOF AND USE AS MEDICINES, IN PARTICULAR AS ANTIBACTERIAL AGENTS AVENTIS PHARMA SA (FR) 2004-04-07 EP disclosed