SCHEMBL7812263

SCHEMBL7812263

CNc1nccc(C(OC)OC)n1.COC(C)(C=O)OC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KMT2A Q03164 4/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
BRAF P15056 1/20 0.31
KDR P35968 1/20 0.31
MAPK14 Q16539 1/20 0.31
TNNI3K Q59H18 1/20 0.31
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1800915 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPK9MAPK10L3MBTL1KMT2A
SCHEMBL7614772 0.80 L3MBTL1 (0.43) SMN1; SMN2MAPK9MAPK10L3MBTL1KMT2A
SCHEMBL27903061 0.69 MAPK9 (0.39) MAPK9MAPK10MAPK14
SCHEMBL12411162 0.69 MAPK8 (0.47) SMN1; SMN2MAPK9MAPK10L3MBTL1KMT2A
SCHEMBL27903059 0.66 MAPK9 (0.39) MAPK9MAPK10BRAFKDRMAPK14
SCHEMBL84061 0.66 MAPK9 (0.43) MAPK9MAPK10KDRMAPK14
SCHEMBL21797185 0.66 KMT2A (0.43) SMN1; SMN2MAPK9MAPK10L3MBTL1KMT2A
SCHEMBL4490400 0.66 AURKA (0.54) KMT2AMAPTRAB9AKDRNPC1
SCHEMBL4399077 0.66 SYK (0.37) MAPK9KMT2AMAPTRAB9AKDR
SCHEMBL13306228 0.66 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802908-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-04-11 EP disclosed
EP-0802908-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-29 EP disclosed
WO-1996021654-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-18 WO disclosed