SCHEMBL7258716

SCHEMBL7258716

O=C(CCCn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O)NCCc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL7259478 0.90 KDM4E (0.51) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL7263989 0.83 KDM4E (0.44) RAB9AKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7262910 0.79 LMNA (0.44) ALDH1A1GAASMN1; SMN2HSD17B10
SCHEMBL7263951 0.76 — —
SCHEMBL7258099 0.76 — —
SCHEMBL8152565 0.75 — —
SCHEMBL7254850 0.74 — —
SCHEMBL7259083 0.74 — —
SCHEMBL8154422 0.74 — —
SCHEMBL6780106 0.73 — —

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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