SCHEMBL4999399

SCHEMBL4999399

COc1cccc(F)c1-c1nc(C(=O)[O-])cs1.COc1cccc(F)c1-c1nc(C(=O)[O-])cs1.[Pd+2].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.39
PIM1 P11309 9/20 0.39
PIM3 Q86V86 7/20 0.39
ALDH1A1 P00352 2/20 0.39
CTSA P10619 2/20 0.38
PIM2 Q9P1W9 5/20 0.38
IRAK4 Q9NWZ3 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ECE1 P42892 1/20 0.36
MAP4K1 Q92918 1/20 0.36

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
SCHEMBL30448183 0.83 ALDH1A1 (0.55) PIM1PIM3ALDH1A1CTSAPIM2
SCHEMBL3536356 0.83 ALDH1A1 (0.55) PIM1PIM3ALDH1A1CTSAPIM2
SCHEMBL4999401 0.74 PIM1 (0.37) PIM1PIM3ALDH1A1CTSAPIM2
SCHEMBL29600613 0.70 MAOA (0.57) PIM1PIM3PIM2
SCHEMBL319326 0.69 PIM1 (0.56) PTGER1PIM1PIM3ALDH1A1PIM2
SCHEMBL3538488 0.69 TRPC3 (0.48) PIM1PIM3PIM2KDM4EHPGD
SCHEMBL2694760 0.69 ALDH1A1 (0.59) PIM1PIM3ALDH1A1PIM2KDM4E
SCHEMBL26319783 0.69 ALDH1A1 (0.55) ALDH1A1CTSAIRAK4KDM4EHPGD
SCHEMBL29600625 0.69 ALDH1A1 (0.59) PIM1PIM3ALDH1A1PIM2KDM4E
SCHEMBL3540061 0.68 PIM1 (0.44) PIM1PIM3PIM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979335-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2008-10-15 EP disclosed
WO-2007082808-A2 THIAZOLES AS 11 BETA-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-07-26 WO disclosed