SCHEMBL2189135

SCHEMBL2189135

O=C(CCC1CCCC1)NC(c1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1)C1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
KMT2A Q03164 4/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.42
MEN1 O00255 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 4/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 2/20 0.41
POLB P06746 2/20 0.41
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL2189086 0.83 LMNA (0.49) LMNAKMT2ATSHRMAPK1MEN1
SCHEMBL2188348 0.82 KMT2A (0.42) LMNAKMT2ATSHRMAPK1MEN1
SCHEMBL2185587 0.81 LMNA (0.46) LMNAKMT2ATSHRMAPK1MEN1
SCHEMBL2185836 0.78 LMNA (0.46) LMNAKMT2ATSHRMAPK1MEN1
SCHEMBL2189032 0.78 KMT2A (0.50) LMNAKMT2ATSHRMAPK1MEN1
SCHEMBL2192333 0.76 LMNA (0.53) LMNAKMT2ATSHRMAPK1MEN1
SCHEMBL2188107 0.73 ALDH1A1 (0.57) LMNAKMT2ATSHRMAPK1MEN1
SCHEMBL2185882 0.71 LMNA (0.60) LMNAKMT2ATSHRMAPK1MEN1
SCHEMBL2189156 0.70 HSD17B10 (0.52) LMNAKMT2ATSHRMAPK1MEN1
SCHEMBL2187066 0.69 LMNA (0.58) LMNAKMT2ATSHRMAPK1MEN1

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