SCHEMBL6313413

SCHEMBL6313413

Cn1c(SCCc2noc(-c3cccc(Cl)c3)n2)nnc1-c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNH2 Q12809 4/20 0.54
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
DRD2 P14416 3/20 0.46
DRD3 P35462 2/20 0.46
HDAC3 O15379 2/20 0.43
PTK2 Q05397 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL1543946 0.90 CYP3A4 (0.57) MEN1ALDH1A1KMT2AKCNH2MAPT
SCHEMBL6319237 0.89 KMT2A (0.48) MEN1ALDH1A1KMT2AKCNH2LMNA
SCHEMBL1544043 0.83 MAPT (0.57) MEN1ALDH1A1KMT2AKCNH2MAPT
SCHEMBL1544141 0.82 LMNA (0.58) MEN1ALDH1A1KMT2AKCNH2MAPT
SCHEMBL4944989 0.81 MEN1 (0.50) MEN1ALDH1A1KMT2AKCNH2MAPT
SCHEMBL1544357 0.81 LMNA (0.49) MEN1ALDH1A1KMT2AKCNH2MAPT
SCHEMBL1544729 0.81 KMT2A (0.54) MEN1ALDH1A1KMT2AKCNH2MAPT
SCHEMBL1543757 0.81 POLB (0.55) MEN1ALDH1A1KMT2AKCNH2MAPT
SCHEMBL1544330 0.80 MAPT (0.50) MEN1ALDH1A1KMT2AKCNH2MAPT
SCHEMBL1544120 0.80 MAPT (0.50) MEN1ALDH1A1KMT2AKCNH2MAPT

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-1529045-A2 NEW COMPOUNDS Astra Zeneca AB (SE) 2005-05-11 EP disclosed
WO-2004014881-A2 '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 ASTRA ZENECA AB (SE) 2004-02-19 WO disclosed