SCHEMBL6823635

SCHEMBL6823635

CC(C)CCn1cccc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
MAP3K14 Q99558 1/20 0.46
KDM4E B2RXH2 1/20 0.44
HTT P42858 2/20 0.40
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GRM2 Q14416 1/20 0.37
MEN1 O00255 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SORT1 Q99523 1/20 0.36
ADRA1D P25100 1/20 0.36
MAOB P27338 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
TLR9 Q9NR96 1/20 0.35
CYP2D6 P10635 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
SCHEMBL29038554 0.87 LMNA (0.42) LMNAMAP3K14KDM4EHTTMAPT
SCHEMBL28703124 0.86 HTT (0.44) LMNAHTTMAPTALDH1A1GRM2
SCHEMBL29225360 0.82 LMNA (0.40) LMNAKDM4EHTTMAPTALDH1A1
SCHEMBL4611671 0.81 MLYCD (0.40) HTTALDH1A1GRM2CYP2D6
SCHEMBL29102668 0.80 LMNA (0.50) LMNAMAP3K14KDM4EHTTMAPT
SCHEMBL27611348 0.80 LMNA (0.53) LMNAMAP3K14KDM4EMAPTALDH1A1
SCHEMBL27840672 0.77 LMNA (0.47) LMNAMAP3K14KDM4EMAPTPOLB
SCHEMBL28740014 0.77 CNR2 (0.40) LMNAKDM4EHTTMAPTALDH1A1
SCHEMBL28715744 0.76 LMNA (0.46) LMNAMAPTALDH1A1GRM2MEN1
SCHEMBL4427821 0.76 LMNA (0.53) LMNAMAP3K14KDM4EMAPTALDH1A1

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
EP-1467969-A2 DNA MINOR GROOVE BINDING COMPOUNDS The University of Strathclyde (GB) 2004-10-20 EP disclosed
WO-2003059881-A2 DNA MINOR GROOVE BINDING COMPOUNDS UNIVERSITY OF STRATHCLYDE (GB) 2003-07-24 WO disclosed