SCHEMBL2186435

SCHEMBL2186435

N#Cc1ccc(N2CCC(c3nc(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cs3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.49
TSHR P16473 5/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ATM Q13315 1/20 0.47
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.43
THRB P10828 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL2186478 0.94 KMT2A (0.48) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2185672 0.91 LMNA (0.53) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2187468 0.91 CHRM4 (0.48) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186962 0.90 LMNA (0.56) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186627 0.87 LMNA (0.49) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186519 0.86 LMNA (0.50) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2192333 0.86 LMNA (0.53) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2187717 0.86 LMNA (0.53) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186032 0.86 SLC6A9 (0.51) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186156 0.84 LMNA (0.54) LMNATSHRKMT2AMEN1MAPK1

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 3 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-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed