SCHEMBL8239208

SCHEMBL8239208

O=[N+]([O-])c1cc(-c2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)ccc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 5/20 0.71
▸ MAPT P10636 12/20 0.64
▸ KMT2A Q03164 10/20 0.64
▸ ALDH1A1 P00352 9/20 0.64
▸ MEN1 O00255 9/20 0.64
▸ KDM4E B2RXH2 3/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.64
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ CRHBP P24387 2/20 0.64
▸ CRHR2 Q13324 2/20 0.64
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ MCL1 Q07820 1/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.61
▸ TLR9 Q9NR96 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ LMNA P02545 3/20 0.57
▸ S1PR2 O95136 1/20 0.57

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
SCHEMBL4408424 0.85 MAPT (0.68) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL12417212 0.79 MAPT (0.63) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL12417165 0.77 MAPT (0.66) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL6721129 0.76 MAPT (0.65) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL11913699 0.76 MAPT (0.55) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL8239298 0.75 KMT2A (0.60) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL8232019 0.74 KMT2A (0.65) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL12443073 0.74 KMT2A (0.74) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL12417160 0.73 MAPT (0.60) HTTMAPTKMT2AALDH1A1MEN1
SCHEMBL14527790 0.72 MAPT (0.54) HTTMAPTKMT2AALDH1A1MEN1

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-2007051333-A1 TRIAZINE BETA-SECRETASE INHIBITORS ONCALIS AG (CH) 2007-05-10 — — WO disclosed
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