SCHEMBL7318043

SCHEMBL7318043

COc1ccc(S(=O)(=O)c2ncccc2CNc2c(OCc3cccnc3)cccc2C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
NAMPT P43490 8/20 0.46
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
MMP1 P03956 5/20 0.42
MMP9 P14780 5/20 0.42
MMP13 P45452 5/20 0.42
ALDH1A1 P00352 1/20 0.41
ADAM17 P78536 4/20 0.41
LRRK2 Q5S007 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
ADAMTS4 O75173 1/20 0.40

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
SCHEMBL7314645 0.94 MMP1 (0.46) KEAP1NFE2L2NAMPTHTR1ADRD2
SCHEMBL7316579 0.83 KDM4E (0.44) NAMPTMMP1MMP9MMP13ALDH1A1
SCHEMBL7311156 0.83 KDM4E (0.44) NAMPTMMP1MMP9MMP13ALDH1A1
SCHEMBL7322032 0.80 MMP13 (0.40) NAMPTMMP1MMP9MMP13ALDH1A1
SCHEMBL7316350 0.80 MMP1 (0.42) KEAP1NFE2L2MMP1MMP9MMP13
SCHEMBL7318336 0.79 KDM4E (0.41) NAMPTMMP1MMP9MMP13ALDH1A1
SCHEMBL7320602 0.79 MMP9 (0.47) MMP1MMP9MMP13ADAM17
SCHEMBL7323468 0.78 MMP1 (0.46) KEAP1NFE2L2NAMPTMMP1MMP9
SCHEMBL7325340 0.78 HCAR2 (0.47) MMP1MMP9MMP13ALDH1A1ADAM17
SCHEMBL7317521 0.78 MMP13 (0.41) NAMPTMMP1MMP9MMP13ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed