SCHEMBL4697845

SCHEMBL4697845

O=C(O)C1c2c(cnn2CCc2ccccc2)C2CN1C(=O)N2OCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.32
ATM Q13315 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PFKFB3 Q16875 1/20 0.31
MCHR1 Q99705 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
S1PR1 P21453 1/20 0.30
S1PR5 Q9H228 1/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL4697841 1.00 KCNA5 (0.32) KCNA5L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL20557547 0.93 KCNA5 (0.33) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL4130799 0.91 POLB (0.35) KCNA5L3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL4130795 0.91 POLB (0.35) KCNA5L3MBTL1SMN1; SMN2POLBALDH1A1
SCHEMBL5253690 0.89 KCNA5 (0.35) KCNA5MEN1KMT2APOLBCYP3A4
SCHEMBL20557553 0.88 KCNA5 (0.32) KCNA5POLBCYP3A4CYP2C9CYP2C19
SCHEMBL21980501 0.87 GAA (0.31) GAA
SCHEMBL20557817 0.87 KCNA5 (0.36) KCNA5SMN1; SMN2POLBCYP3A4CYP2C9
SCHEMBL2066952 0.87 KCNA5 (0.36) KCNA5SMN1; SMN2POLBCYP3A4CYP2C9
SCHEMBL4695499 0.87 MEN1 (0.31) KCNA5SMN1; SMN2MEN1KMT2APFKFB3

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-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed