SCHEMBL7077474

SCHEMBL7077474

O=C(O)c1ccccc1S(=O)(=O)N1CCc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
AKR1C3 P42330 5/20 0.63
MEN1 O00255 3/20 0.61
AKR1C1 Q04828 1/20 0.59
LMNA P02545 2/20 0.58
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
FABP3 P05413 1/20 0.51
FABP4 P15090 1/20 0.51
FABP5 Q01469 1/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL7076468 0.85 KMT2A (0.59) KMT2AL3MBTL1AKR1C3MEN1AKR1C1
SCHEMBL7076183 0.84 KMT2A (0.58) KMT2AL3MBTL1AKR1C3MEN1LMNA
SCHEMBL7077782 0.80 KMT2A (0.59) KMT2AL3MBTL1AKR1C3MEN1AKR1C1
SCHEMBL5069997 0.79 TSHR (0.65) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL28285074 0.78 POLB (0.58) KMT2AL3MBTL1LMNASMN1; SMN2ALDH1A1
SCHEMBL7076783 0.77 AKR1C3 (0.52) KMT2AL3MBTL1AKR1C3MEN1AKR1C1
SCHEMBL693455 0.77 KMT2A (1.00) KMT2AL3MBTL1AKR1C3MEN1AKR1C1
SCHEMBL17911197 0.76 FABP4 (0.53) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL3095109 0.76 AKR1C3 (0.57) KMT2AL3MBTL1AKR1C3AKR1C1LMNA
SCHEMBL7076179 0.75 KMT2A (0.56) KMT2AL3MBTL1AKR1C3MEN1AKR1C1

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 8 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
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