SCHEMBL15037809

SCHEMBL15037809

CCC1=CC=C(c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
KCNH2 Q12809 3/20 0.38
NR1H2 P55055 4/20 0.37
NR1H3 Q13133 3/20 0.37
DRD2 P14416 2/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
LOX P28300 1/20 0.35
NPY5R Q15761 1/20 0.35
PTGS2 P35354 1/20 0.35
GRK6 P43250 1/20 0.34
PARP1 P09874 1/20 0.34
JAK2 O60674 1/20 0.34

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
SCHEMBL6243674 0.72 KCNH2 (0.50) LOXL2CTSSCTSKKCNH2NR1H2
SCHEMBL3013574 0.71 PTGS2 (0.44) LOXL2CTSSCTSKKCNH2NR1H2
SCHEMBL612693 0.71 BRD4 (0.41) LOXL2CTSSCTSKKCNH2NR1H2
SCHEMBL1687505 0.69 NR1H2 (0.52) LOXL2KCNH2NR1H2NR1H3
SCHEMBL2140712 0.67 PTGS2 (0.53) LOXL2KCNH2NR1H2NR1H3PTGS2
SCHEMBL4827565 0.67 DRD2 (0.53) DRD2SIGMAR1
SCHEMBL4823982 0.67 HTR2C (0.57) SIGMAR1
SCHEMBL14538129 0.66 ESR1 (0.37) DRD2PTGS2
SCHEMBL3655415 0.66 LOXL2 (0.54) LOXL2KCNH2NR1H2LOX
SCHEMBL18551802 0.66 ALOX5 (0.42) LOXL2CTSSCTSKKCNH2NR1H2

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-2604269-A1 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-06-19 EP disclosed