SCHEMBL2187357

SCHEMBL2187357

O=C(Nc1ccccc1OC(F)(F)F)N1CCC(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.57
TSHR P16473 5/20 0.57
HSD17B10 Q99714 3/20 0.57
POLB P06746 3/20 0.57
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
ALOX15 P16050 1/20 0.57
HTT P42858 5/20 0.48
MAPK1 P28482 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 3/20 0.44
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2187340 0.89 LMNA (0.57) LMNATSHRHSD17B10POLBHTT
SCHEMBL2185757 0.87 LMNA (0.66) LMNATSHRHSD17B10POLBUSP2
SCHEMBL2188261 0.86 LMNA (0.56) LMNATSHRHSD17B10POLBUSP2
SCHEMBL2186886 0.84 LMNA (0.47) LMNATSHRHSD17B10POLBUSP2
SCHEMBL2186442 0.84 LMNA (0.58) LMNATSHRHSD17B10POLBUSP2
SCHEMBL2188122 0.83 LMNA (0.55) LMNATSHRHSD17B10POLBUSP2
SCHEMBL2186962 0.83 LMNA (0.56) LMNATSHRHSD17B10POLBUSP2
SCHEMBL2189005 0.83 MAPT (0.58) LMNATSHRHSD17B10POLBUSP2
SCHEMBL2187871 0.83 LMNA (0.54) LMNATSHRHSD17B10POLBUSP2
SCHEMBL2186627 0.83 LMNA (0.49) LMNATSHRHSD17B10POLBHTT

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