SCHEMBL7072174

SCHEMBL7072174

O=C(O)c1ccccc1S(=O)(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.77
MMP13 P45452 1/20 0.77
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 4/20 0.56
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR2B P41595 1/20 0.55
MAPK14 Q16539 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ACLY P53396 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
SCHEMBL5899024 0.87 MMP2 (1.00) MMP2MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL7072831 0.86 MMP2 (0.73) MMP2MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL12706689 0.79 ALDH1A1 (0.68) MEN1KMT2ASMN1; SMN2TSHRGAA
SCHEMBL5069997 0.79 TSHR (0.65) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL31212424 0.78 MEN1 (0.61) MMP2MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL14470092 0.78 MEN1 (0.81) MEN1KMT2ASMN1; SMN2TSHRGAA
SCHEMBL29172873 0.78 ALDH1A1 (0.66) MMP2MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL31212427 0.77 MEN1 (0.59) MMP2MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL31212417 0.77 MEN1 (0.59) MMP2MMP13MEN1KMT2ASMN1; SMN2
SCHEMBL17911197 0.77 FABP4 (0.53) MMP2MMP13MEN1KMT2ASMN1; SMN2

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