SCHEMBL3843692

SCHEMBL3843692

CC(C)(C)OC(=O)/C=C/c1cccn1S(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPME1 Q9Y570 8/20 0.41
▸ GPR183 P32249 1/20 0.39
▸ APEH P13798 1/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ MMP2 P08253 1/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL3843696 1.00 PPME1 (0.41) PPME1GPR183APEHHDAC3HDAC4
SCHEMBL24282442 0.86 PPME1 (0.50) PPME1APEHHDAC3HDAC4HDAC1
SCHEMBL295226 0.80 HDAC1 (0.42) GPR183HDAC3HDAC4HDAC1HDAC7
SCHEMBL295225 0.80 HDAC1 (0.42) GPR183HDAC3HDAC4HDAC1HDAC7
SCHEMBL299897 0.77 HDAC6 (0.44) PPME1APEHHDAC3HDAC1HDAC2
SCHEMBL299898 0.77 HDAC6 (0.44) PPME1APEHHDAC3HDAC1HDAC2
SCHEMBL3345694 0.72 HSD17B3 (0.61) PKM
SCHEMBL2209337 0.72 HSD17B3 (0.61) PKM
SCHEMBL14874713 0.69 MMP8 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14874714 0.69 MMP8 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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-1861365-B1 N-SULPHONYLPYRROLES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-07-01 — — EP disclosed
Send feedback