SCHEMBL6508209

SCHEMBL6508209

CC(C)(C)OC(=O)N(CCOc1ccc(F)cc1)Cc1ccc(Br)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.44
LTA4H P09960 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP8 P22894 2/20 0.37
MMP13 P45452 2/20 0.37
GRM2 Q14416 1/20 0.35
SLC2A4 P14672 1/20 0.35
SLC2A8 Q9NY64 1/20 0.35
FAAH O00519 1/20 0.35
MST1R Q04912 1/20 0.35

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
SCHEMBL6512171 0.89 SSTR4 (0.41) SSTR4KDM4ELMNAMMP2MMP9
SCHEMBL29563667 0.85 SSTR4 (0.44) SSTR4MMP2MMP9MMP8MMP13
SCHEMBL109277 0.85 SSTR4 (0.44) SSTR4MMP2MMP9MMP8MMP13
SCHEMBL6507203 0.83 SLC2A1 (0.41) SSTR4KDM4ELMNAMMP2MMP9
SCHEMBL5153408 0.82 HDAC3 (0.46) LTA4HSMN1; SMN2KDM4ELMNA
SCHEMBL6510214 0.82 SSTR4 (0.57) SSTR4MMP2MMP9MMP8MMP13
SCHEMBL23081661 0.81 SSTR4 (0.45) SSTR4MMP2MMP9MMP8MMP13
SCHEMBL14005309 0.78 SSTR4 (0.39) SSTR4SMN1; SMN2KDM4ELMNAGRM2
SCHEMBL14030942 0.78 SLC2A4 (0.40) SSTR4GRM2SLC2A4SLC2A8
SCHEMBL3899039 0.78 SSTR4 (0.47) SSTR4SMN1; SMN2KDM4ELMNA

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
WO-2005014588-A1 SUBSTITUTED THIENYL-HYDROXAMIC ACIDS HAVING HISTONE DEACETYLASE ACTIVITY ARGENTA DISCOVERY LIMITED (GB) 2005-02-17 WO disclosed