SCHEMBL7996970

SCHEMBL7996970

O=C(CCCS(=O)(=O)c1ccc(Br)cc1)NO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.65
HDAC8 Q9BY41 2/20 0.65
HDAC3 O15379 1/20 0.65
HDAC4 P56524 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC11 Q96DB2 1/20 0.65
HDAC6 Q9UBN7 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
MMP1 P03956 6/20 0.55
CTDSP1 Q9GZU7 5/20 0.54
POLB P06746 5/20 0.54
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 3/20 0.51
GRK2 P25098 2/20 0.51
RECQL P46063 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7689527 0.81 MMP1 (0.83) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7324083 0.79 HDAC1 (1.00) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL6388043 0.77 HDAC2 (0.65) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL1941210 0.77 CA2 (0.67) MMP1CTDSP1POLBKMT2ATDP1
SCHEMBL6387224 0.76 HDAC1 (0.68) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL947975 0.75 HSD11B1 (0.63) CTDSP1POLBKMT2ATDP1GRK2
SCHEMBL21149882 0.75 HDAC1 (0.71) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL7012692 0.75 KMT2A (0.52) CTDSP1POLBKMT2ATDP1GRK2
SCHEMBL5387555 0.74 PLCG1 (0.59) CTDSP1POLBKMT2ATDP1GRK2
SCHEMBL28446468 0.74 HDAC1 (0.72) 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-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed