SCHEMBL24327529

SCHEMBL24327529

CCCCNC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ CDC25A P30304 5/20 0.47
▸ LMNA P02545 4/20 0.47
▸ HTT P42858 4/20 0.47
▸ CYP19A1 P11511 1/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ TDP1 Q9NUW8 4/20 0.45
▸ NSD2 O96028 4/20 0.45
▸ NPSR1 Q6W5P4 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ HSP90AA1 P07900 3/20 0.45
▸ MITF O75030 2/20 0.45
▸ APAF1 O14727 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CDC25B P30305 3/20 0.43
▸ CASP3 P42574 2/20 0.42
▸ BLM P54132 2/20 0.42
▸ SENP7 Q9BQF6 2/20 0.42

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
SCHEMBL24327930 0.95 MAPT (0.46) MAPTCDC25ALMNAHTTCYP19A1
SCHEMBL24327927 0.94 CDC25A (0.46) MAPTCDC25ALMNAHTTCYP19A1
SCHEMBL24327487 0.94 CDC25A (0.46) MAPTCDC25ALMNAHTTCYP19A1
SCHEMBL24327527 0.94 CDC25A (0.46) MAPTCDC25ALMNAHTTCYP19A1
SCHEMBL24327493 0.81 CDC25A (0.42) MAPTCDC25ALMNAHTTCYP19A1
SCHEMBL17732422 0.78 CYP19A1 (0.73) MAPTLMNAHTTCYP19A1MAPK1
SCHEMBL31277646 0.76 MAPT (0.72) MAPTCDC25ALMNAHTTMAPK1
SCHEMBL24327489 0.76 CDC25A (0.40) MAPTCDC25ALMNAHTTCYP19A1
SCHEMBL1101039 0.76 MAPT (0.46) MAPTCDC25ALMNAHTTMAPK1
SCHEMBL10895957 0.74 ALDH1A1 (0.54) MAPTLMNAHTTCYP19A1MAPK1

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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