SCHEMBL24327490

SCHEMBL24327490

O=C1C(Cl)=C(Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.53
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 1/20 0.46
▸ IL1RN P18510 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ ERAP1 Q9NZ08 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MAP2K7 O14733 1/20 0.43
▸ NSD2 O96028 1/20 0.43

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
SCHEMBL24327496 0.91 ALDH1A1 (0.56) PGRALDH1A1TSHRMEN1KMT2A
SCHEMBL11220891 0.81 MAPT (0.59) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL24327488 0.79 DHODH (0.54) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL24327533 0.77 MAPT (0.44) POLBALDH1A1GAAGFERMEN1
SCHEMBL24327526 0.73 DHODH (0.54) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL24327929 0.73 MAPT (0.51) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL8081768 0.72 KEAP1 (0.79) PGRPOLBALDH1A1IL1RNKEAP1
SCHEMBL3756876 0.71 PGR (1.00) PGRPOLBALDH1A1IL1RNKEAP1
SCHEMBL16719342 0.71 IL1RN (0.66) PGRPOLBALDH1A1IL1RNKEAP1
SCHEMBL12283415 0.70 MAPT (0.61) POLBALDH1A1GAAMEN1KMT2A

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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