SCHEMBL7079810

SCHEMBL7079810

O=C(NO)c1ccccc1S(=O)(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MMP2 P08253 3/20 0.59
MMP13 P45452 3/20 0.59
POLB P06746 1/20 0.55
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 4/20 0.54
PKM P14618 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL7076647 0.85 MEN1 (0.60) ALDH1A1POLBMAPTKDM4EPKM
SCHEMBL7076265 0.83 MAPT (0.58) ALDH1A1MMP2MMP13POLBMAPT
SCHEMBL12150842 0.81 MMP2 (0.69) ALDH1A1MMP2MMP13MAPTPKM
SCHEMBL7072805 0.81 ALDH1A1 (0.56) ALDH1A1POLBMAPTSMN1; SMN2KDM4E
SCHEMBL2963306 0.78 ALDH1A1 (0.68) ALDH1A1POLBMAPTSMN1; SMN2KDM4E
SCHEMBL7073728 0.77 MMP2 (0.60) MMP2MMP13MAPTSMN1; SMN2HDAC3
SCHEMBL7076239 0.77 MMP2 (0.60) MMP2MMP13POLBMAPTHDAC3
SCHEMBL5898968 0.77 MMP2 (0.63) ALDH1A1MMP2MMP13TSHR
SCHEMBL7072097 0.76 ALDH1A1 (0.59) ALDH1A1POLBMAPTSMN1; SMN2KDM4E
SCHEMBL2960545 0.75 ALDH1A1 (0.75) ALDH1A1POLBMAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003525203-A 2003-08-26 JP claimed
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
EP-1163213-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES Darwin Discovery Limited (GB) 2001-12-19 EP claimed
WO-2000056704-A1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LIMITED (GB) 2000-09-28 WO 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