SCHEMBL7072305

SCHEMBL7072305

CN(Cc1cc2ccccc2o1)S(=O)(=O)Cc1ccccc1C(=O)NO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 7/20 0.40
NPC1 O15118 5/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
CLK1 P49759 1/20 0.40
HPGD P15428 1/20 0.40
MAOB P27338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ACKR3 P25106 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39

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
SCHEMBL7076517 0.88 ALDH1A1 (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7077693 0.87 RAB9A (0.49) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL7076158 0.74 MMP2 (0.44) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL7074387 0.70 ALDH1A1 (0.44) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL16924218 0.66 LOXL2 (0.50) ALDH1A1HPGDMAOBMMP13TP53
SCHEMBL7076512 0.65 MMP9 (0.53) MMP13
SCHEMBL7076161 0.65 ALDH1A1 (0.41) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL2396386 0.65 LOXL2 (0.46) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL28891069 0.65 NPC1 (0.68) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL13485789 0.65 NPC1 (0.68) HDAC1HDAC2MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US claimed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US claimed
US-20030022893-A1 Hydroxamic and carboxylic acid derivatives BAXTER ANDREW DOUGLAS (GB) 2003-01-30 US disclosed
US-6465468-B1 SUCH AS N-HYDROXY-2-(4-(4-CHLOROPHENYL)PIPERAZINE-1-SULFONYL)BENZAMIDE; INHIBITORS OF MATRIX METALLOPROTEINASE, ADAM OR ADAMTS ENZYMES; TREATMENT OF DEGENERATIVE DISEASES AND CERTAIN CANCERS DARWIN DISCOVERY LIMITED (GB) 2002-10-15 US disclosed
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP disclosed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO disclosed