SCHEMBL5318965

SCHEMBL5318965

[CH2]C(=O)N(C)c1ccc(C#N)cc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 1/20 0.37
NSD2 O96028 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PKM P14618 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
GPR27 Q9NS67 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5315962 0.79 GPR35 (0.43) NSD2SIRT2JAK2JAK3
SCHEMBL5317201 0.78 HTT (0.49) MEN1KMT2APKMMAPTALDH1A1
SCHEMBL4303251 0.78 JAK2 (0.37) CYP11B1CYP11B2GAAMAPTEGLN2
SCHEMBL19442277 0.77 PDK2 (0.37) CYP11B1NSD2FFAR1FFAR4LMNA
SCHEMBL18146732 0.76 TRPA1 (0.36) MEN1KMT2ACYP11B1CYP11B2NSD2
SCHEMBL18160359 0.74 CYP11B1 (0.43) CYP11B1ALDH1A1L3MBTL1
SCHEMBL18146859 0.74 CYP11B1 (0.43) CYP11B1ALDH1A1L3MBTL1
SCHEMBL5317092 0.73 CHRNB2 (0.49) KMT2AMAPTLMNAALDH1A1
SCHEMBL19440683 0.73 MEN1 (0.51) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL19996895 0.73 CYP11B1 (0.38) MEN1KMT2ACYP11B1CYP11B2NSD2

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed