SCHEMBL14423939

SCHEMBL14423939

CCBc1ccc(NS(=O)(=O)c2cccc(/C=C(/C)CC)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.44
HDAC8 Q9BY41 11/20 0.44
HDAC3 O15379 10/20 0.44
HDAC4 P56524 10/20 0.44
HDAC7 Q8WUI4 10/20 0.44
HDAC2 Q92769 10/20 0.44
HDAC10 Q969S8 10/20 0.44
HDAC11 Q96DB2 10/20 0.44
HDAC6 Q9UBN7 10/20 0.44
HDAC9 Q9UKV0 10/20 0.44
HDAC5 Q9UQL6 10/20 0.44
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
BRD4 O60885 1/20 0.41
ESR1 P03372 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
PIK3CA P42336 1/20 0.41
HTR6 P50406 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
SCHEMBL14423923 0.76 AKR1C3 (0.58) HDAC8HDAC2HDAC6MAPTALDH1A1
SCHEMBL14423936 0.74 PIM1 (0.48) MEN1KMT2APOLB
SCHEMBL14198608 0.72 CA1 (0.48)
SCHEMBL14423938 0.71 PGR (0.43) HDAC1HDAC8MAPTALDH1A1HPGD
SCHEMBL396988 0.69 HDAC1 (0.60) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL396989 0.69 HDAC1 (0.60) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14423934 0.69 CA2 (0.40) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL14423937 0.68 PTPN1 (0.44) MAPTALDH1A1HPGDPIK3CAHTR6
SCHEMBL23511012 0.67 HDAC1 (0.75) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL15652924 0.66 HDAC1 (0.64) HDAC1HDAC8HDAC3HDAC4HDAC7

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
US-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 US disclosed