SCHEMBL2185672

SCHEMBL2185672

O=C(c1csc(C2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.53
TSHR P16473 5/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
MAPK1 P28482 2/20 0.53
HSD17B10 Q99714 1/20 0.53
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ATM Q13315 1/20 0.51
POLB P06746 3/20 0.50
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.48
USP2 O75604 1/20 0.47
THRB P10828 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
SCHEMBL2186962 0.95 LMNA (0.56) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186435 0.91 LMNA (0.49) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186627 0.91 LMNA (0.49) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2187717 0.91 LMNA (0.53) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186032 0.91 SLC6A9 (0.51) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2188273 0.90 CHRM4 (0.52) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186519 0.89 LMNA (0.50) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2185664 0.89 TSHR (0.50) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2192333 0.89 LMNA (0.53) LMNATSHRKMT2AMEN1MAPK1
SCHEMBL2186156 0.89 LMNA (0.54) LMNATSHRKMT2AMEN1MAPK1

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 1 patent. 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