SCHEMBL2188261

SCHEMBL2188261

O=C(Nc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 10/20 0.56
HTT P42858 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.54
HSD17B10 Q99714 3/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 5/20 0.51
MAPK1 P28482 3/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
RECQL P46063 1/20 0.49
POLB P06746 3/20 0.47
TSHR P16473 4/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGDS O60760 1/20 0.46
TRPV1 Q8NER1 1/20 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
SCHEMBL2185757 0.94 LMNA (0.66) LMNAHTTSMN1; SMN2HSD17B10GAA
SCHEMBL2188122 0.93 LMNA (0.55) LMNAHTTSMN1; SMN2HSD17B10GAA
SCHEMBL2186442 0.89 LMNA (0.58) LMNAHTTSMN1; SMN2HSD17B10GAA
SCHEMBL2186921 0.88 MAPT (0.62) LMNAHTTSMN1; SMN2HSD17B10GAA
SCHEMBL2189005 0.86 MAPT (0.58) LMNAHTTSMN1; SMN2HSD17B10GAA
SCHEMBL2187717 0.86 LMNA (0.53) LMNAHTTSMN1; SMN2HSD17B10GAA
SCHEMBL2187130 0.86 KMT2A (0.56) LMNAHTTSMN1; SMN2HSD17B10MAPT
SCHEMBL2187357 0.86 LMNA (0.57) LMNAHTTSMN1; SMN2HSD17B10GAA
SCHEMBL2189156 0.85 HSD17B10 (0.52) LMNAHTTSMN1; SMN2HSD17B10GAA
SCHEMBL2186146 0.85 CHRM4 (0.51) LMNAHTTSMN1; SMN2HSD17B10MAPT

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