SCHEMBL2189156

SCHEMBL2189156

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.52
LMNA P02545 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPK1 P28482 2/20 0.48
ATM Q13315 1/20 0.48
HTT P42858 4/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 2/20 0.45

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
SCHEMBL2187717 0.87 LMNA (0.53) HSD17B10LMNASMN1; SMN2TSHRMEN1
SCHEMBL2189160 0.87 CHRM4 (0.50) HSD17B10LMNASMN1; SMN2TSHRMEN1
SCHEMBL2185757 0.87 LMNA (0.66) HSD17B10LMNASMN1; SMN2TSHRMEN1
SCHEMBL2186962 0.86 LMNA (0.56) HSD17B10LMNASMN1; SMN2TSHRMEN1
SCHEMBL2188261 0.85 LMNA (0.56) HSD17B10LMNASMN1; SMN2TSHRMEN1
SCHEMBL2185672 0.85 LMNA (0.53) HSD17B10LMNASMN1; SMN2TSHRMEN1
SCHEMBL2188122 0.85 LMNA (0.55) HSD17B10LMNASMN1; SMN2TSHRMEN1
SCHEMBL2213291 0.84 MAPT (0.52) HSD17B10LMNASMN1; SMN2TSHRMEN1
SCHEMBL2185430 0.84 LMNA (0.50) HSD17B10LMNASMN1; SMN2TSHRMEN1
SCHEMBL2188250 0.84 LMNA (0.51) HSD17B10LMNATSHRMEN1KMT2A

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