SCHEMBL29214617

SCHEMBL29214617

O=C(O)c1csc2c(Cl)cc(C3CC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ GPR35 Q9HC97 3/20 0.40
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EIF4EBP1 Q13541 7/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PPARA Q07869 2/20 0.35
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TMIGD3 P0DMS9 1/20 0.33
▸ ADORA1 P30542 1/20 0.33

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
SCHEMBL29661920 0.84 LMNA (0.37) POLBGPR35MAPTALDH1A1SMN1; SMN2
SCHEMBL22866803 0.84 LMNA (0.37) POLBGPR35MAPTALDH1A1SMN1; SMN2
SCHEMBL28718650 0.79 EIF4EBP1 (0.35) GPR35ALDH1A1SMN1; SMN2EIF4EBP1PPARA
SCHEMBL28704856 0.77 EIF4EBP1 (0.41) ALDH1A1SMN1; SMN2EIF4EBP1
SCHEMBL22866853 0.67 KDM5A (0.46) ALDH1A1SMN1; SMN2EIF4EBP1KDM4ELMNA
SCHEMBL20541047 0.66 POLB (0.51) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL28906508 0.66 POLB (0.51) POLBMAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL7208766 0.65 EIF4EBP1 (0.46) EIF4EBP1KDM4E
SCHEMBL19554455 0.64 ALDH1A1 (0.42) GPR35ALDH1A1SMN1; SMN2EIF4EBP1KDM4E
SCHEMBL9382663 0.63 KEAP1 (0.58) POLBMAPTALDH1A1SMN1; SMN2KDM4E

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
CN-114269756-B 4-Oxo-3, 4-dihydropyrido [3,4-D ] pyrimidine compounds that inhibit EIF4E 效应疗法股份有限公司 2024-05-14 — — CN disclosed
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