SCHEMBL24327927

SCHEMBL24327927

CCCCCCNC1=C(Cl)C(=O)c2c(O)ccc(O)c2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 4/20 0.46
▸ CDC25B P30305 2/20 0.46
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ GPR84 Q9NQS5 8/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.43
▸ NSD2 O96028 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ APAF1 O14727 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NAAA Q02083 1/20 0.43
▸ CASP3 P42574 1/20 0.40

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
SCHEMBL24327527 1.00 CDC25A (0.46) CDC25ACDC25BMAPTLMNAHTT
SCHEMBL24327487 1.00 CDC25A (0.46) CDC25ACDC25BMAPTLMNAHTT
SCHEMBL24327930 0.98 MAPT (0.46) CDC25ACDC25BMAPTLMNAHTT
SCHEMBL24327529 0.94 MAPT (0.47) CDC25ACDC25BMAPTLMNAHTT
SCHEMBL1101039 0.81 MAPT (0.46) CDC25ACDC25BMAPTLMNAHTT
SCHEMBL24327493 0.79 CDC25A (0.42) CDC25ACDC25BMAPTLMNAHTT
SCHEMBL11371344 0.77 CYP19A1 (0.71) MAPTLMNAHTTGPR84CYP19A1
SCHEMBL7962344 0.76 MAPT (0.70) CDC25ACDC25BMAPTLMNAHTT
SCHEMBL10899503 0.75 ALDH1A1 (0.48) MAPTGPR84CYP19A1MAPK1NPSR1
SCHEMBL10895412 0.75 ALDH1A1 (0.48) MAPTGPR84CYP19A1MAPK1NPSR1

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
Send feedback