SCHEMBL2824697

SCHEMBL2824697

Cc1nc2c(N3CCOCC3)cccc2c(-c2ccc(S(C)(=O)=O)cc2)c1C(=O)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
MTOR P42345 3/20 0.38
AKR1C3 P42330 1/20 0.36
KIF18A Q8NI77 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
RAF1 P04049 3/20 0.36
BRAF P15056 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC18A3 Q16572 1/20 0.36
MOK Q9UQ07 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GHSR Q92847 1/20 0.35
KCNH2 Q12809 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
SCHEMBL2821762 0.91 PTGS2 (0.45) PIK3CAPIK3CGMEN1LMNAKMT2A
SCHEMBL2824583 0.89 NCF1 (0.43) PIK3CAPIK3CGMEN1LMNAKMT2A
SCHEMBL2824696 0.80 MEN1 (0.47) JAK2JAK3PTK2AKR1C3MEN1
SCHEMBL2823193 0.79 FABP3 (0.45) MEN1LMNAKMT2AALDH1A1MAPT
SCHEMBL2829017 0.77 PTGS2 (0.43) KIF18APTGS2
SCHEMBL2821527 0.76 PTGS2 (0.45) KIF18APTGS2
SCHEMBL2826443 0.75 NR1H2 (0.35) PTGS2
SCHEMBL2820850 0.75 HRH4 (0.36) PTGS2
SCHEMBL2824985 0.74 HPGD (0.42) MTORPIK3CAPIK3CGRAF1BRAF
SCHEMBL2826068 0.74 NPSR1 (0.43) MEN1LMNAKMT2AMOKALDH1A1

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-1809605-B1 QUINOLINES AS ALLOSTERIC ENHANCERS OF THE GABA-B RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-11 EP claimed