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SCHEMBL13330318

SCHEMBL13330318

O=C(O)c1cc(N=Nc2ccc(Nc3nc(Nc4ccc(N=Nc5cc(C(=O)O)cc(C(=O)O)c5)cc4OCCCS(=O)(=O)O)nc(N4CCN(c5nc(Nc6ccc(N=Nc7cc(C(=O)O)cc(C(=O)O)c7)cc6OCCCSOOO)nc(Nc6ccc(N=Nc7cc(C(=O)O)cc(C(=O)O)c7)cc6OCCCS(=O)(=O)O)n5)CC4)n3)c(OCCCSOOO)c2)cc(C(=O)O)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GBA1 P04062 2/20 0.30

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
SCHEMBL13330315 0.95 MAPT (0.32) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL13330317 0.94 KMT2A (0.38) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL13330320 0.92 KMT2A (0.37) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL13330295 0.92 GBA1 (0.34) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL13330316 0.90 MEN1 (0.31) HTTMEN1KMT2ANPC1RAB9A
SCHEMBL13330308 0.89 — —
SCHEMBL13330319 0.89 MEN1 (0.34) HTTMAPTMEN1KMT2ANPC1
SCHEMBL12620264 0.89 — —
SCHEMBL13330312 0.88 KMT2A (0.38) HTTMAPTMEN1KMT2AMAPK1
SCHEMBL14887272 0.85 KMT2A (0.43) HTTMAPTMEN1KMT2AMAPK1

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
US-20100118067-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-05-13 — — US disclosed
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