SCHEMBL22866770

SCHEMBL22866770

Cc1cc(Br)c2scc(C(=O)NS(=O)(=O)I)c2n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EIF4EBP1 Q13541 10/20 0.34
▸ EGFR P00533 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ACP1 P24666 1/20 0.30

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
SCHEMBL29560595 0.89 EIF4EBP1 (0.39) EIF4EBP1EGFRGPR35SORT1KDM4E
SCHEMBL28715107 0.78 GPR35 (0.45) EIF4EBP1GPR35SORT1KDM4E
SCHEMBL29560054 0.78 KDM4E (0.39) GPR35KDM4EALDH1A1L3MBTL1
SCHEMBL22866725 0.78 KDM4E (0.39) GPR35KDM4EALDH1A1L3MBTL1
SCHEMBL29559766 0.78 EIF4EBP1 (0.37) EIF4EBP1GPR35SORT1KDM4EALDH1A1
SCHEMBL22866908 0.78 EIF4EBP1 (0.37) EIF4EBP1GPR35SORT1KDM4EALDH1A1
SCHEMBL22866911 0.77 CD38 (0.39) GPR35KDM4EALDH1A1GAAHTT
SCHEMBL22866471 0.73 L3MBTL1 (0.34) EIF4EBP1GPR35KDM4EL3MBTL1
SCHEMBL22866769 0.68 TSHR (0.31) EIF4EBP1GPR35
SCHEMBL22866921 0.65 MAPT (0.33) GPR35GAASMN1; SMN2

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-2021003157-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS EFFECTOR THERAPEUTICS, INC. (US) 2021-01-07 — — WO disclosed
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