SCHEMBL21345580

SCHEMBL21345580

O=c1[nH]cc(CO)c(=S)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.38
▸ GRIA1 P42261 1/20 0.38
▸ GRIA2 P42262 1/20 0.38
▸ GRIA3 P42263 1/20 0.38
▸ GRIA4 P48058 1/20 0.38
▸ MMP2 P08253 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ DPYD Q12882 1/20 0.34
▸ ATAD2 Q6PL18 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ THPO P40225 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HBB P68871 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL44459 0.78 GAA (0.52) GAAMAPTGRIA1GRIA2GRIA3
Water SCHEMBL11272295 0.77 GAA (0.50) GAAMAPTALDH1A1DPYDATAD2
Phosphoric Acid SCHEMBL29493371 0.72 GAA (0.45) GAAMAPTALDH1A1DPYDATAD2
SCHEMBL8509902 0.72 ATAD2 (0.33) MMP2DPYDATAD2
SCHEMBL21345745 0.71 KMT2A (0.54) GAAMAPTGRIA1GRIA2GRIA3
SCHEMBL28633880 0.71 GAA (0.44) GAAMAPTDPYD
Uracil SCHEMBL29116490 0.67 CRBN (0.57) GAAMAPT
SCHEMBL65835 0.67 — —
SCHEMBL11159779 0.67 — —
SCHEMBL1056570 0.67 — —

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-2019173602-A1 4'-HALOGEN CONTAINING NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2019-09-12 — — WO disclosed
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