SCHEMBL14103584

SCHEMBL14103584

Clc1cccc(C2=CCC(/C=N/Nc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)O2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.48
▸ HTT P42858 3/20 0.48
▸ MAPT P10636 11/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ GAA P10253 6/20 0.48
▸ MEN1 O00255 6/20 0.48
▸ PIKFYVE Q9Y2I7 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ NPSR1 Q6W5P4 6/20 0.47
▸ POLB P06746 5/20 0.45
▸ RECQL P46063 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TEX264 Q9Y6I9 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43

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
SCHEMBL14103591 0.93 MAPT (0.51) LMNAHTTMAPTKMT2AGAA
SCHEMBL14104222 0.78 MAPT (0.48) LMNAHTTMAPTKMT2AGAA
SCHEMBL12417173 0.78 MAPT (0.56) LMNAHTTMAPTKMT2AGAA
SCHEMBL11913670 0.74 MAPT (0.58) LMNAHTTMAPTKMT2AGAA
SCHEMBL22737807 0.72 MAPT (0.68) LMNAHTTMAPTKMT2AGAA
SCHEMBL29345146 0.71 LMNA (0.94) LMNAHTTMAPTKMT2AGAA
SCHEMBL12417175 0.71 MAPT (0.61) LMNAHTTMAPTKMT2AGAA
SCHEMBL12829050 0.70 MAPT (0.54) LMNAHTTMAPTKMT2AGAA
SCHEMBL22737384 0.69 MAPT (0.70) LMNAHTTMAPTKMT2AGAA
SCHEMBL11810697 0.69 LMNA (1.00) LMNAHTTMAPTKMT2AMEN1

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-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 — — WO disclosed
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