SCHEMBL2188562

SCHEMBL2188562

COc1ccccc1C(=O)Nc1nc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.67
TSHR P16473 5/20 0.67
HSD17B10 Q99714 3/20 0.56
ALOX15 P16050 2/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 3/20 0.52
HTT P42858 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
KMT2A Q03164 2/20 0.51
NCS1 P62166 1/20 0.50
PHGDH O43175 2/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL2188423 0.92 CSNK1E (0.56) LMNATSHRHSD17B10ALOX15USP2
SCHEMBL2187871 0.83 LMNA (0.54) LMNATSHRHSD17B10ALOX15USP2
SCHEMBL2187121 0.81 CSNK1E (0.48) LMNATSHRPOLBMAPTHTT
SCHEMBL2188984 0.81 LMNA (0.62) LMNATSHRHSD17B10ALOX15USP2
SCHEMBL2187965 0.79 LMNA (0.51) LMNATSHRHSD17B10TP53POLB
SCHEMBL2187098 0.79 CSNK1E (0.51) LMNATSHRHSD17B10USP2POLB
SCHEMBL2188622 0.79 CSNK1E (0.53) HSD17B10ALOX15USP2TP53MAPT
SCHEMBL2187509 0.77 LMNA (0.57) LMNATSHRHSD17B10ALOX15USP2
SCHEMBL2188767 0.77 LMNA (0.62) LMNATSHRHSD17B10ALOX15USP2
SCHEMBL2189086 0.77 LMNA (0.49) LMNATSHRHSD17B10POLBMAPT

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