SCHEMBL7996874

SCHEMBL7996874

CN(C(N)=O)c1ccc(CCOS(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.38
CA2 P00918 11/20 0.38
CA9 Q16790 2/20 0.38
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
GALR3 O60755 1/20 0.34
RAB9A P51151 1/20 0.34
MCL1 Q07820 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA4 P22748 3/20 0.33
ALOX15 P16050 2/20 0.33
CA12 O43570 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2075495 0.81 ALDH1A1 (0.45) CA1CA2CA9KDM4EMEN1
SCHEMBL3258334 0.79 CA2 (0.50) CA1CA2CA9KDM4EPPARG
SCHEMBL8000512 0.76 CYP4A11 (0.44) CA1CA2CA9PPARACA4
SCHEMBL13067604 0.74 CA1 (0.50) CA1CA2CA9KDM4EKMT2A
SCHEMBL1246773 0.74 CA2 (0.48) CA1CA2CA9KDM4EPPARA
SCHEMBL28890376 0.73 CA2 (0.41) CA1CA2CA9KDM4ENPC1
SCHEMBL3142520 0.73 KMT2A (0.51) CA1CA2CA9NPC1RAB9A
SCHEMBL11039771 0.73 KMT2A (0.50) CA1CA2CA9RAB9AKMT2A
SCHEMBL6991225 0.72 CA1 (0.48) CA1CA2CA9KDM4ENPC1
SCHEMBL13527822 0.72 CA2 (0.50) CA1CA2CA9KDM4EMEN1

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-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed