SCHEMBL7076783

SCHEMBL7076783

O=C(O)c1ccccc1CS(=O)(=O)N1CCc2ccccc2C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.52
AKR1C1 Q04828 2/20 0.52
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL7072558 0.86 ALDH1A1 (0.44) AKR1C3AKR1C1KMT2AMEN1PPARG
SCHEMBL23657779 0.80 KMT2A (0.50) AKR1C3KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL7821841 0.79 KMT2A (0.59) AKR1C3KMT2AMEN1ALDH1A1MAPT
SCHEMBL30539315 0.79 KMT2A (0.59) AKR1C3KMT2AMEN1ALDH1A1MAPT
SCHEMBL7077474 0.77 KMT2A (0.63) AKR1C3AKR1C1KMT2AMEN1PPARG
SCHEMBL17227611 0.75 KMT2A (0.62) AKR1C3KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3282591 0.74 AKR1C3 (0.53) AKR1C3AKR1C1TSHR
SCHEMBL1266470 0.74 AKR1C3 (0.56) AKR1C3AKR1C1KMT2AMEN1ALDH1A1
SCHEMBL7077782 0.71 KMT2A (0.59) AKR1C3AKR1C1KMT2AMEN1ALDH1A1
SCHEMBL7078026 0.71 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTKDM4E

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
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