SCHEMBL15326557

SCHEMBL15326557

CN(C)c1cccc2c(S(=O)(=O)NCCN3NNN=C3NC(=O)c3cccc(Cl)c3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
EDNRA P25101 5/20 0.44
FUCA1 P04066 1/20 0.43
GLB1 P16278 2/20 0.42
HTR1A P08908 1/20 0.42
HTR3A P46098 1/20 0.42
EGFR P00533 1/20 0.42
GBA1 P04062 2/20 0.41
EPHX2 P34913 1/20 0.41
CYP27B1 O15528 1/20 0.41
CYP24A1 Q07973 1/20 0.41

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
SCHEMBL15326553 0.83 HDAC4 (0.46) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL15326526 0.79 LMNA (0.42) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL1712804 0.77 HDAC4 (0.68) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL15326554 0.77 HDAC4 (0.46) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL15326624 0.75 EDNRA (0.46) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL15326625 0.73 HDAC4 (0.44) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL12961984 0.72 EPHX2 (0.58) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL10132109 0.71 EDNRA (0.58) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL4139459 0.70 HDAC4 (0.75) HDAC4HDAC10HDAC6HDAC5EDNRA
SCHEMBL30632892 0.69 EPHX2 (0.59) HDAC4HDAC10HDAC6HDAC5EDNRA

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-2013154793-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 2013-10-17 WO disclosed