SCHEMBL7263989

SCHEMBL7263989

O=C(CCCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL7258099 0.84 — —
SCHEMBL7258716 0.83 RAB9A (0.40) KDM4EHSD17B10ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8152565 0.80 — —
SCHEMBL7257430 0.80 NPC1 (0.43) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL7254850 0.80 — —
SCHEMBL7259083 0.79 — —
SCHEMBL8154422 0.79 — —
SCHEMBL6780106 0.78 — —
SCHEMBL7262910 0.78 LMNA (0.44) HSD17B10ALDH1A1SMN1; SMN2GAA
SCHEMBL8154174 0.78 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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-2003000664-A1 URACIL DERIVATIVES AND THE USE THEREOF FOR TREATING BACTERIAL DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2003-01-03 — — WO disclosed
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