SCHEMBL14103591

SCHEMBL14103591

Clc1cccc(C2=CCC(/C=N/Nc3nc(Nc4ccccc4)nc(N4CCCCC4)n3)O2)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.51
▸ KMT2A Q03164 10/20 0.51
▸ MEN1 O00255 9/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ GAA P10253 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ LMNA P02545 4/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HTT P42858 4/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ RORC P51449 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GBA1 P04062 1/20 0.40

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
SCHEMBL14103584 0.93 LMNA (0.48) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL12417175 0.78 MAPT (0.61) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL12829050 0.78 MAPT (0.54) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL12417187 0.73 MAPT (0.65) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL12417173 0.71 MAPT (0.56) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL7689352 0.71 MAPT (0.78) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL14104222 0.70 MAPT (0.48) MAPTKMT2AMEN1GAAL3MBTL1
SCHEMBL11807869 0.69 NPSR1 (0.93) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL11913677 0.66 MAPT (0.65) MAPTKMT2AMEN1NPSR1GAA
SCHEMBL12417208 0.66 MAPT (0.59) MAPTKMT2AMEN1NPSR1GAA

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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