SCHEMBL28909245

SCHEMBL28909245

CC(C)(C)OC(=O)c1cc2cc(F)c(F)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39

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
SCHEMBL6877620 0.87 KMT2A (0.41) EIF4A3KDM4EALDH1A1HPGDLMNA
SCHEMBL31219118 0.82 XDH (0.51) EIF4A3KDM4EALDH1A1HPGDLMNA
SCHEMBL16235851 0.82 XDH (0.51) EIF4A3KDM4EALDH1A1HPGDLMNA
SCHEMBL24198716 0.79 EIF4A3 (0.49) EIF4A3KDM4EALDH1A1HPGDLMNA
SCHEMBL8959587 0.78 KDM4E (0.67) EIF4A3KDM4EALDH1A1HPGDLMNA
SCHEMBL23441333 0.77 HRH4 (0.50) RAB9ANPC1MEN1KMT2AHRH3
SCHEMBL832227 0.77 RAB9A (0.67) KDM4EALDH1A1HPGDLMNARAB9A
SCHEMBL829726 0.77 HRH4 (0.55) KDM4EALDH1A1HPGDLMNARAB9A
SCHEMBL22529436 0.76 EIF4A3 (0.53) EIF4A3KDM4EALDH1A1HPGDLMNA
SCHEMBL318243 0.76 KDM4E (0.63) KDM4EALDH1A1HPGDLMNARAB9A

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
CN-115720578-A Tricyclic derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-02-28 — — CN disclosed
CN-112533898-A Heterocyclic compounds 日商泛美克斯股份有限公司 2021-03-19 — — CN disclosed
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