SCHEMBL2188167

SCHEMBL2188167

O=C(c1csc(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.52
LMNA P02545 7/20 0.50
TSHR P16473 6/20 0.50
HTT P42858 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MAPK1 P28482 2/20 0.50
ALDH1A1 P00352 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.47
ESR1 P03372 1/20 0.47
CCKAR P32238 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
SCHEMBL2188169 0.91 LMNA (0.55) LMNATSHRHTTMEN1KMT2A
SCHEMBL2185882 0.91 LMNA (0.60) LMNATSHRHTTMEN1KMT2A
SCHEMBL2187066 0.90 LMNA (0.58) LMNATSHRHTTMEN1KMT2A
SCHEMBL2185460 0.89 KMT2A (0.57) LMNATSHRHTTMEN1KMT2A
SCHEMBL2186627 0.87 LMNA (0.49) KCNA5LMNATSHRHTTMEN1
SCHEMBL2188767 0.87 LMNA (0.62) LMNATSHRHTTMEN1KMT2A
SCHEMBL27756397 0.87 LMNA (0.55) LMNATSHRHTTMEN1KMT2A
SCHEMBL2187381 0.87 STAT3 (0.48) LMNATSHRHTTMEN1KMT2A
SCHEMBL2187496 0.86 ATM (0.53) LMNATSHRHTTMEN1KMT2A
SCHEMBL2188107 0.85 ALDH1A1 (0.57) LMNATSHRHTTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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