SCHEMBL2186958

SCHEMBL2186958

O=C(c1csc(C2CCN(Cc3ccccc3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.58
LMNA P02545 5/20 0.51
KMT2A Q03164 3/20 0.51
TSHR P16473 3/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
KDM4C Q9H3R0 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
ATM Q13315 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
POLB P06746 2/20 0.46
HTT P42858 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL2186566 0.95 CHRM4 (0.53) CHRM4LMNAKMT2ATSHRMEN1
SCHEMBL2188273 0.95 CHRM4 (0.52) CHRM4LMNAKMT2ATSHRMEN1
SCHEMBL2186146 0.94 CHRM4 (0.51) CHRM4LMNAKMT2ATSHRMEN1
SCHEMBL2188328 0.94 CHRM4 (0.51) CHRM4LMNAKMT2ATSHRMEN1
SCHEMBL2187518 0.93 CHRM4 (0.50) CHRM4LMNAKMT2ATSHRMEN1
SCHEMBL2187544 0.93 CHRM4 (0.50) CHRM4LMNAKMT2ATSHRMEN1
SCHEMBL2186036 0.91 POLB (0.61) CHRM4LMNAKMT2ATSHRMEN1
SCHEMBL2187468 0.91 CHRM4 (0.48) CHRM4LMNAKMT2ATSHRMEN1
SCHEMBL2186541 0.91 CHRM4 (0.48) CHRM4LMNAKMT2ATSHRMEN1
SCHEMBL2186962 0.90 LMNA (0.56) LMNAKMT2ATSHRMEN1MAPK1

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