SCHEMBL28118917

SCHEMBL28118917

NC(=O)CCCC(C(N)=O)(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.42
CHRM2 P08172 6/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
EPHX2 P34913 1/20 0.33
FDPS P14324 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33

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
SCHEMBL28118919 0.93 CHRM2 (0.40) CHRM3CHRM2LMNACYP2D6CHRM1
SCHEMBL28063826 0.84 CHRM2 (0.41) CHRM3CHRM2LMNACYP2D6CHRM1
SCHEMBL4138872 0.84 CHRM3 (0.54) CHRM3CHRM2LMNACYP2D6CHRM1
SCHEMBL1915298 0.81 KMT2A (0.39) CHRM3CHRM2LMNACYP2D6CHRM1
SCHEMBL28063823 0.81 KIF11 (0.40) CHRM3CHRM2LMNACYP2D6CHRM1
SCHEMBL20543316 0.78 SMN1; SMN2 (0.45) KDM4EEPHX2MAPTHIF1A
SCHEMBL28118556 0.78 MAPT (0.46) CHRM3CHRM2LMNACYP2D6CHRM1
SCHEMBL4025460 0.77 CHEK1 (0.39) LMNAKDM4EEPHX2HDAC3HDAC4
SCHEMBL4146916 0.77 CHRM3 (0.51) CHRM3CHRM2LMNACYP2D6CHRM1
SCHEMBL1769745 0.77 CHRM3 (0.51) CHRM3CHRM2LMNACYP2D6CHRM1

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
CN-106414587-A Rubber composition, tire, amine compound and anti-aging agent 大塚化学株式会社 2017-02-15 CN disclosed