SCHEMBL6512171

SCHEMBL6512171

CC(C)(C)OC(=O)N(CCOc1ccccc1)Cc1ccc(Br)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F2 P00734 2/20 0.39
PPARG P37231 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 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
SCHEMBL6508209 0.89 SSTR4 (0.44) SSTR4LMNAMMP2MMP9MMP8
SCHEMBL6507203 0.89 SLC2A1 (0.41) SSTR4LMNAF2MMP2MMP9
SCHEMBL29563667 0.86 SSTR4 (0.44) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL109277 0.86 SSTR4 (0.44) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL6510214 0.84 SSTR4 (0.57) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL23081661 0.83 SSTR4 (0.45) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL6511346 0.81 HDAC1 (0.38) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL5153408 0.77 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2NPC1
SCHEMBL6804331 0.77 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2NPC1
SCHEMBL16468158 0.77 F2 (0.43) HDAC3HDAC1HDAC2NCOR2NPC1

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