SCHEMBL24327530

SCHEMBL24327530

O=C1C(Cl)=C(Nc2cccc3ccccc23)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 1/20 0.42
▸ CDC25B P30305 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ STK10 O94804 1/20 0.40
▸ SLK Q9H2G2 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ MAPT P10636 3/20 0.38

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
SCHEMBL17936372 0.85 CYP3A4 (0.52) FADS1CDC25BALDH1A1HPGDALOX15
SCHEMBL11220891 0.77 MAPT (0.59) CDC25BALDH1A1HPGDATMSTK10
SCHEMBL24327929 0.72 MAPT (0.51) CDC25BALDH1A1HPGDATMGAA
SCHEMBL24327488 0.72 DHODH (0.54) FADS1CDC25BALDH1A1HPGDTSHR
SCHEMBL12283415 0.71 MAPT (0.61) CDC25BALDH1A1HPGDATMSTK10
SCHEMBL24327533 0.70 MAPT (0.44) CDC25BALDH1A1HPGDATMGAA
SCHEMBL15906860 0.69 MAPT (0.58) CDC25BALDH1A1HPGDATMGAA
SCHEMBL24328015 0.69 TOP2A (0.48) CDC25BALDH1A1HPGDATMCA1
SCHEMBL18674138 0.69 CDC25B (0.60) FADS1CDC25BALDH1A1HPGDALOX15
SCHEMBL5615168 0.68 CDC25B (0.59) FADS1CDC25BALDH1A1HPGDALOX15

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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