SCHEMBL2187965

SCHEMBL2187965

O=C(Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
HTT P42858 4/20 0.51
TSHR P16473 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.47
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL2185860 0.85 KMT2A (0.56) LMNAHTTTSHRNPSR1ALDH1A1
SCHEMBL2186831 0.82 TSHR (0.44) LMNAHTTTSHRNPSR1ALDH1A1
SCHEMBL2188423 0.79 CSNK1E (0.56) LMNAHTTTSHRNPSR1ALDH1A1
SCHEMBL2188562 0.79 LMNA (0.67) LMNAHTTTSHRNPSR1L3MBTL1
SCHEMBL2189086 0.77 LMNA (0.49) LMNAHTTTSHRNPSR1ALDH1A1
SCHEMBL2185882 0.77 LMNA (0.60) LMNAHTTTSHRNPSR1ALDH1A1
SCHEMBL27756397 0.76 LMNA (0.55) LMNAHTTTSHRNPSR1ALDH1A1
SCHEMBL2187871 0.75 LMNA (0.54) LMNAHTTTSHRNPSR1ALDH1A1
SCHEMBL2187066 0.74 LMNA (0.58) LMNAHTTTSHRNPSR1ALDH1A1
SCHEMBL2185460 0.74 KMT2A (0.57) LMNAHTTTSHRNPSR1ALDH1A1

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