SCHEMBL7093258

SCHEMBL7093258

COC(=O)C(Cc1cc(Cl)c(OCCCNC(=O)OC(C)(C)C)c(Cl)c1)=NOCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
IDO1 P14902 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CYP1A1 P04798 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RECQL P46063 1/20 0.37
PAX8 Q06710 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL7093257 1.00 MAPT (0.39) MAPTPOLBMAPK1IDO1L3MBTL1
SCHEMBL7141370 0.83 NPFFR1 (0.40) MAPTPOLBMAPK1L3MBTL1CA1
SCHEMBL4040006 0.80 CA12 (0.47) MAPTPOLBMAPK1IDO1L3MBTL1
SCHEMBL7092445 0.77 NPFFR1 (0.39) MAPTCA1CA2CA12CA9
SCHEMBL7089757 0.77 CA2 (0.44) CA1CA2CA12CA9LMNA
SCHEMBL7089756 0.77 CA2 (0.44) CA1CA2CA12CA9LMNA
SCHEMBL7093260 0.76 CA2 (0.35) POLBCA1CA2CA12CA9
SCHEMBL4038788 0.74 STK17B (0.50) IDO1CA1CA2CYP1A1CYP2D6
SCHEMBL18656008 0.72 SIGMAR1 (0.48) MAPTPOLBMAPK1IDO1L3MBTL1
SCHEMBL13622021 0.71 IDO1 (0.56) MAPTPOLBMAPK1IDO1L3MBTL1

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
WO-2003087127-A2 ANTIMICROBIAL COMPOUNDS AGAINST STAPHYLOCOCCI, MYCOBACTERIA, AND OTHER INFECTIOUS AGENTS EXEGENICS INC. (US) 2003-10-23 WO disclosed