SCHEMBL24327533

SCHEMBL24327533

Nc1cccc(NC2=C(Cl)C(=O)c3c(O)ccc(O)c3C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ GAA P10253 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ MAPK1 P28482 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ATM Q13315 2/20 0.43
▸ CDC25A P30304 2/20 0.43
▸ CDC25B P30305 2/20 0.43
▸ MCL1 Q07820 2/20 0.43
▸ MAP2K7 O14733 1/20 0.43
▸ NSD2 O96028 1/20 0.43
▸ DDX3X O00571 1/20 0.41

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
SCHEMBL24327488 0.85 DHODH (0.54) MAPTMEN1KMT2AGAALMNA
SCHEMBL11220891 0.82 MAPT (0.59) MAPTMEN1KMT2AGAALMNA
SCHEMBL24327526 0.80 DHODH (0.54) MAPTMEN1KMT2AGAALMNA
SCHEMBL5808588 0.78 MAPT (0.68) MAPTMEN1KMT2AGAALMNA
SCHEMBL24327490 0.77 PGR (0.53) MAPTMEN1KMT2AGAAGFER
SCHEMBL12283415 0.75 MAPT (0.61) MAPTMEN1KMT2AGAALMNA
SCHEMBL10808217 0.75 GNG2 (0.62) MAPTMEN1KMT2AGAALMNA
SCHEMBL24327496 0.75 ALDH1A1 (0.56) MEN1KMT2AHTTALDH1A1SMN1; SMN2
SCHEMBL24327929 0.74 MAPT (0.51) MAPTMEN1KMT2AGAALMNA
SCHEMBL24328015 0.73 TOP2A (0.48) MAPTMEN1KMT2AGAALMNA

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-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 — — WO disclosed
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