SCHEMBL8273997

SCHEMBL8273997

CC(C)(Br)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
MAPT P10636 6/20 0.61
LMNA P02545 5/20 0.61
USP2 O75604 1/20 0.61
PKM P14618 1/20 0.61
POLB P06746 1/20 0.59
ALDH1A1 P00352 4/20 0.56
HPGD P15428 1/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL8274000 0.89 SMN1; SMN2 (0.64) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8275420 0.86 HDAC3 (0.66) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL14058601 0.85 HDAC3 (0.73) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13988083 0.84 LMNA (0.68) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8276416 0.82 LMNA (0.65) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL13988046 0.82 SMN1; SMN2 (0.67) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4871237 0.78 HDAC3 (1.00) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL27180731 0.78 LMNA (0.72) SMN1; SMN2MAPTLMNAUSP2PKM
SCHEMBL5229664 0.77 MAPT (0.97) SMN1; SMN2MAPTLMNAPKMALDH1A1
SCHEMBL27180707 0.77 MAPT (0.77) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
US-7470722-B2 Multicyclic sulfonamide compounds as inhibitors of histone deacetylase for the treatment of disease KALYPSYS, INC. (US) 2008-12-30 US disclosed
WO-2005123089-A2 MULTICYCLIC SULFONAMIDE COMPOUNDS AS INHIBITORS OF HISTONE DEACETYLASE FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2005-12-29 WO disclosed