SCHEMBL28707209

SCHEMBL28707209

COC(=O)c1cc(-c2nc3cc([C@]4(C(N)=O)C[C@@H]4F)ccc3o2)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ PTGS2 P35354 2/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ HDAC6 Q9UBN7 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HSD17B10 Q99714 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HDAC3 O15379 3/20 0.37
▸ PPARG P37231 2/20 0.37
▸ NCOA2 Q15596 2/20 0.37
▸ NCOA1 Q15788 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ NCOA3 Q9Y6Q9 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37

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
SCHEMBL23012822 0.89 HDAC6 (0.37) MAPTRAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL28935974 0.84 MAPT (0.44) MAPTRAB9ASMN1; SMN2TP53PTGS2
SCHEMBL28695261 0.84 APP (0.41) HDAC6MAPK1
SCHEMBL28710788 0.83 NPC1 (0.36) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL28713901 0.83 MAPT (0.37) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL28701697 0.79 HDAC6 (0.36) MAPTRAB9ASMN1; SMN2TP53PTGS2
SCHEMBL23012299 0.78 RAB9A (0.69) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL23033392 0.76 MAPT (0.50) MAPTRAB9ASMN1; SMN2TP53PTGS2
SCHEMBL29479820 0.76 MAPT (0.50) MAPTRAB9ASMN1; SMN2TP53PTGS2
SCHEMBL29479691 0.76 HDAC6 (0.54) MAPTRAB9ASMN1; SMN2TP53PTGS2

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-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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