SCHEMBL13330316

SCHEMBL13330316

O=C(O)c1ccc(C(=O)O)c(N=Nc2ccc(Nc3nc(Nc4ccc(N=Nc5cc(C(=O)O)ccc5C(=O)O)cc4OCCCS(=O)(=O)O)nc(N4CCN(c5nc(Nc6ccc(N=Nc7cc(C(=O)O)ccc7C(=O)O)cc6OCCCSOOO)nc(Nc6ccc(N=Nc7cc(C(=O)O)ccc7C(=O)O)cc6OCCCS(=O)(=O)O)n5)CC4)n3)c(OCCCSOOO)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL13330319 0.93 MEN1 (0.34) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL13330315 0.92 MAPT (0.32) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL13330309 0.90 — —
SCHEMBL13330317 0.90 KMT2A (0.38) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL13330318 0.90 HTT (0.32) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL13330320 0.88 KMT2A (0.37) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL13330295 0.88 GBA1 (0.34) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL13330312 0.85 KMT2A (0.38) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL13330327 0.84 — —
SCHEMBL13330306 0.83 MEN1 (0.36) MEN1KMT2A

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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