SCHEMBL5338091

SCHEMBL5338091

CN(CCO)C(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
NSD2 O96028 1/20 0.44
FFAR1 O14842 4/20 0.42
CYP2A6 P11509 1/20 0.40
CDK8 P49336 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MMP2 P08253 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5316193 0.84 KMT2A (0.46) KMT2ANSD2FFAR1CYP2A6MMP12
SCHEMBL9601660 0.82 KMT2A (0.49) KMT2ANSD2FFAR1MMP12MMP13
SCHEMBL5317107 0.81 KMT2A (0.44) KMT2ANSD2FFAR1CYP2A6MMP12
SCHEMBL5317404 0.75 NSD2 (0.58) KMT2ANSD2MMP2SIGMAR1
SCHEMBL5401771 0.75 FFAR1 (0.39) KMT2ANSD2FFAR1HRH3TSHR
SCHEMBL4498529 0.74 TSHR (0.42) NSD2CYP2A6MMP12MMP13HRH3
SCHEMBL2339114 0.74 FFAR1 (0.50) FFAR1CYP2A6MMP12MMP13SAE1
SCHEMBL1507376 0.74 ALDH1A1 (0.57) FFAR1CYP2A6MMP12MMP13SAE1
SCHEMBL7338789 0.73 FFAR1 (0.53) FFAR1CYP2A6MMP12MMP13SAE1
SCHEMBL6298268 0.73 FFAR1 (0.47) KMT2AFFAR1CYP2A6MMP12MMP13

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