SCHEMBL7257430

SCHEMBL7257430

O=C(O)N(CCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL8154422 0.81 — —
SCHEMBL7263989 0.80 KDM4E (0.44) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL8154174 0.80 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MEN1MAPT
SCHEMBL7258099 0.79 — —
SCHEMBL7253779 0.78 — —
SCHEMBL5940600 0.78 — —
SCHEMBL8152565 0.78 — —
SCHEMBL7259083 0.77 — —
SCHEMBL6780106 0.76 — —
SCHEMBL7264499 0.75 — —

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-2003053959-A1 HETEROCYCLYLAMINO CARBONYLURACILS BAYER HEALTHCARE AG (DE) 2003-07-03 — — WO disclosed
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