SCHEMBL2189086

SCHEMBL2189086

O=C(CCC1CCCC1)Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 3/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HTT P42858 5/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
POLB P06746 2/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX12 P18054 1/20 0.46
CHRM4 P08173 1/20 0.45

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
SCHEMBL2185836 0.86 LMNA (0.46) LMNAKMT2ATSHRMEN1MAPK1
SCHEMBL2189032 0.85 KMT2A (0.50) LMNAKMT2ATSHRMEN1MAPK1
SCHEMBL2189135 0.83 LMNA (0.42) LMNAKMT2ATSHRMEN1MAPK1
SCHEMBL2185882 0.78 LMNA (0.60) LMNAKMT2ATSHRMEN1MAPK1
SCHEMBL2187965 0.77 LMNA (0.51) LMNAKMT2ATSHRMEN1MAPK1
SCHEMBL2188423 0.77 CSNK1E (0.56) LMNAKMT2ATSHRMEN1MAPK1
SCHEMBL2188562 0.77 LMNA (0.67) LMNAKMT2ATSHRMEN1MAPK1
SCHEMBL2187871 0.76 LMNA (0.54) LMNAKMT2ATSHRMEN1MAPK1
SCHEMBL8358197 0.76 ALDH1A1 (0.61) LMNAKMT2ATSHRMEN1MAPK1
SCHEMBL2187066 0.75 LMNA (0.58) LMNAKMT2ATSHRMEN1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
EP-2343293-A1 NOVEL PIPERIDIN-4-YL-THIAZOLE-CARBOXAMIDE ANALOGUES AS INHIBITORS OF T-CELL PROLIFERATION AND USES THEREOF 4SC AG (DE) 2011-07-13 EP disclosed
CN-101405278-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2009-04-08 CN disclosed
CN-101233119-A Novel heterocyclic nf-kb inhibitors 4SC AG (DE) 2008-07-30 CN disclosed
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed