SCHEMBL10337495

SCHEMBL10337495

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1cc(C#Cc2ccc(N)cc2)ccn1.CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.36
GRM5 P41594 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIN28A Q9H9Z2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PARP10 Q53GL7 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
SYK P43405 1/20 0.33
CYP1A2 P05177 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
FFAR1 O14842 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGES O14684 1/20 0.33

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
SCHEMBL10367552 0.82 ACACB (0.37) ACACBPTGES
SCHEMBL15618181 0.79 ACACB (0.35) ACACB
SCHEMBL17200916 0.79 ACACB (0.35) ACACB
SCHEMBL9360082 0.78 ACACB (0.36) ACACBPTGES
SCHEMBL13382076 0.77 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LIN28ATDP1TRPM8
SCHEMBL19889254 0.77 MAPT (0.58) MAPTSMN1; SMN2LIN28ATDP1TRPM8
SCHEMBL4895888 0.77 MAPT (0.46) MAPTSMN1; SMN2LIN28ATDP1TRPM8
SCHEMBL2367405 0.76 PPIB (0.34) ACACBMAPTSMN1; SMN2CYP1A2
SCHEMBL15622015 0.75 CA1 (0.33) ACACB
SCHEMBL20506840 0.73 MAPT (0.49) MAPTSMN1; SMN2LIN28ATDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357731-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD. WALLAC OY (FI) 1990-03-14 EP disclosed
WO-1989008263-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1989-09-08 WO disclosed