SCHEMBL28412370

SCHEMBL28412370

O=c1[nH]cc(Sc2ccc(Br)cc2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.44
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ HAO1 Q9UJM8 1/20 0.38
▸ RHEB Q15382 1/20 0.38
▸ DPYD Q12882 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ ATAD2 Q6PL18 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ THPO P40225 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HBB P68871 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PNP P00491 2/20 0.36

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
SCHEMBL28415009 0.83 ALDH1A1 (0.46) RHEBDPYDALDH1A1GAAATAD2
SCHEMBL11616697 0.83 ATAD2 (0.50) MCL1HAO1DPYDALDH1A1GAA
SCHEMBL28417137 0.83 GAA (0.46) DPYDALDH1A1GAAATAD2LMNA
SCHEMBL3952293 0.82 ALDH1A1 (0.50) MCL1DPYDALDH1A1GAAATAD2
SCHEMBL28421433 0.79 IDO1 (0.48) HAO1ALDH1A1ATAD2LMNATYMS
SCHEMBL28408958 0.79 HTR1A (0.38) MCL1DPYDALDH1A1GAAATAD2
SCHEMBL28412020 0.76 TYMS (0.44) HAO1RHEBDPYDALDH1A1TYMS
SCHEMBL11617247 0.71 IDO1 (0.50) ALDH1A1ATAD2LMNASMN1; SMN2PNP
SCHEMBL28413615 0.68 ATAD2 (0.48) HAO1DPYDALDH1A1GAAATAD2
SCHEMBL7177835 0.67 DPYD (0.52) DPYDALDH1A1GAAATAD2LMNA

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
CN-109651267-B Method for preparing 5-sulfur/selenium modified uracil derivative 中国科学院化学研究所 2020-05-19 — — CN disclosed
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