SCHEMBL29559766

SCHEMBL29559766

Cc1cc(Br)c2scc(C(=O)NC(=O)N(C)C)c2n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EIF4EBP1 Q13541 1/20 0.37
▸ GPR35 Q9HC97 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL22866908 1.00 EIF4EBP1 (0.37) EIF4EBP1GPR35SORT1KDM4ENPC1
SCHEMBL29560595 0.79 EIF4EBP1 (0.39) EIF4EBP1GPR35SORT1KDM4EALDH1A1
SCHEMBL28715107 0.78 GPR35 (0.45) EIF4EBP1GPR35SORT1KDM4EMEN1
SCHEMBL29560054 0.78 KDM4E (0.39) GPR35KDM4EHPGDALDH1A1MEN1
SCHEMBL22866725 0.78 KDM4E (0.39) GPR35KDM4EHPGDALDH1A1MEN1
SCHEMBL22866770 0.78 EIF4EBP1 (0.34) EIF4EBP1GPR35SORT1KDM4ENPC1
SCHEMBL22866911 0.77 CD38 (0.39) GPR35KDM4EALDH1A1GAAHTT
SCHEMBL22866471 0.73 L3MBTL1 (0.34) EIF4EBP1GPR35KDM4E
SCHEMBL22866921 0.68 MAPT (0.33) GPR35GAASMN1; SMN2MEN1KMT2A
SCHEMBL22866922 0.65 CYP2A6 (0.35) GPR35

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3994139-A1 EIF4E-INHIBITING 4-OXO-3,4-DIHYDROPYRIDO[3,4-D]PYRIMIDINE COMPOUNDS Effector Therapeutics Inc. (US) 2022-05-11 — — EP disclosed
CN-114269756-A 4-oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds inhibiting EIF4E 效应疗法股份有限公司 2022-04-01 — — CN disclosed
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