SCHEMBL2185579

SCHEMBL2185579

O=C(NCC1CCN(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1)c1ccccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.48
TSHR P16473 7/20 0.48
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 1/20 0.43
CHRM4 P08173 2/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CACNA1B Q00975 2/20 0.41
USP2 O75604 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2188767 0.88 LMNA (0.62) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2185836 0.83 LMNA (0.46) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2187566 0.83 CETP (0.48) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2186831 0.83 TSHR (0.44) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2188423 0.83 CSNK1E (0.56) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2185434 0.81 TSHR (0.49) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2185882 0.80 LMNA (0.60) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2187340 0.80 LMNA (0.57) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2187066 0.79 LMNA (0.58) LMNATSHRMEN1MAPK1KMT2A
SCHEMBL2188167 0.79 KCNA5 (0.52) LMNATSHRMEN1MAPK1KMT2A

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 4 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-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