SCHEMBL7076468

SCHEMBL7076468

O=C(NO)c1ccccc1S(=O)(=O)N1CCc2ccccc2C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MMP2 P08253 3/20 0.57
MMP13 P45452 3/20 0.57
LMNA P02545 1/20 0.54
MEN1 O00255 2/20 0.54
AKR1C3 P42330 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
TSHR P16473 3/20 0.49
AKR1C1 Q04828 1/20 0.49
TP53 P04637 1/20 0.48

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
SCHEMBL7077474 0.85 KMT2A (0.63) KMT2AL3MBTL1LMNAMEN1AKR1C3
SCHEMBL7076183 0.83 KMT2A (0.58) KMT2AL3MBTL1LMNAMEN1AKR1C3
SCHEMBL7076177 0.79 KMT2A (0.55) KMT2AL3MBTL1MMP2MMP13LMNA
SCHEMBL7072558 0.79 ALDH1A1 (0.44) KMT2AMEN1AKR1C3SMN1; SMN2KDM4E
SCHEMBL12150842 0.75 MMP2 (0.69) KMT2AMMP2MMP13LMNAMEN1
SCHEMBL7077782 0.74 KMT2A (0.59) KMT2AL3MBTL1LMNAMEN1AKR1C3
SCHEMBL5898957 0.73 MMP2 (1.00) L3MBTL1MMP2MMP13LMNASMN1; SMN2
SCHEMBL8364732 0.73 MMP2 (0.59) MMP2MMP13ALDH1A1HDAC6TSHR
SCHEMBL5898933 0.73 MMP2 (1.00) MMP2MMP13HDAC6
SCHEMBL7076179 0.72 KMT2A (0.56) KMT2AL3MBTL1LMNAMEN1AKR1C3

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 7 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