SCHEMBL2186478

SCHEMBL2186478

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
POLB P06746 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 4/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 1/20 0.47
ATM Q13315 1/20 0.45
HTT P42858 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 4/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
SLC9A1 P19634 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.44
GAA P10253 2/20 0.43

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
SCHEMBL2186435 0.94 LMNA (0.49) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2187468 0.89 CHRM4 (0.48) KMT2AMEN1SMN1; SMN2LMNATSHR
SCHEMBL2211193 0.88 KMT2A (0.52) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2187717 0.86 LMNA (0.53) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2186962 0.85 LMNA (0.56) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2188150 0.85 KMT2A (0.55) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2187921 0.85 SMN1; SMN2 (0.52) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2192333 0.85 LMNA (0.53) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2185672 0.85 LMNA (0.53) KMT2AMEN1POLBSMN1; SMN2LMNA
SCHEMBL2188760 0.85 KMT2A (0.51) KMT2AMEN1POLBSMN1; SMN2LMNA

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