SCHEMBL29479743

SCHEMBL29479743

CC(C)(C)OC(=O)Nc1ccc2oc(-c3ccnc(Br)c3F)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.50
▸ NPC1 O15118 7/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ MAPT P10636 6/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ HSD17B10 Q99714 5/20 0.50
▸ HPGD P15428 4/20 0.50
▸ NFKB1 P19838 3/20 0.50
▸ NFKB2 Q00653 3/20 0.50
▸ RELA Q04206 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ KMT2A Q03164 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ AGPAT2 O15120 7/20 0.46
▸ PPARG P37231 2/20 0.44
▸ NCOA2 Q15596 2/20 0.44
▸ NCOA1 Q15788 2/20 0.44

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
SCHEMBL23033541 1.00 KDM4E (0.50) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL28936032 0.87 AGPAT2 (0.47) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL29479846 0.83 NPC1 (0.51) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL23012083 0.83 NPC1 (0.51) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL30782724 0.78 MAPT (0.66) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL30782723 0.78 MAPT (0.66) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL28714635 0.77 AGPAT2 (0.49) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL29479738 0.77 ALDH1A1 (0.64) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL23033325 0.77 ALDH1A1 (0.51) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL23033327 0.77 MAPT (0.53) KDM4ENPC1RAB9AMAPTALDH1A1

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-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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