SCHEMBL29479624

SCHEMBL29479624

COC(=O)c1cc(-c2nc3cc(NC(=O)C(C)(C)F)ccc3o2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.53
▸ KDM4E B2RXH2 11/20 0.52
▸ ALDH1A1 P00352 9/20 0.52
▸ HSD17B10 Q99714 7/20 0.52
▸ HPGD P15428 6/20 0.52
▸ NPSR1 Q6W5P4 3/20 0.52
▸ TSHR P16473 2/20 0.52
▸ USP2 O75604 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ POLB P06746 3/20 0.49
▸ PPARG P37231 2/20 0.49
▸ NCOA2 Q15596 2/20 0.49
▸ NCOA1 Q15788 2/20 0.49
▸ NCOA3 Q9Y6Q9 2/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ PTPN2 P17706 1/20 0.48
▸ PTPN1 P18031 1/20 0.48
▸ PTPN5 P54829 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48

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
SCHEMBL23012893 1.00 MAPT (0.53) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL23033530 0.90 ALDH1A1 (0.52) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL23034143 0.86 MAPT (0.71) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL23033327 0.86 MAPT (0.53) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL31165939 0.84 KDM4E (0.64) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL23012520 0.84 KDM4E (0.64) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL23033654 0.83 MAPT (0.54) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29479688 0.82 MAPT (0.52) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL28714614 0.82 MAPT (0.52) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL28706300 0.82 KDM4E (0.52) MAPTKDM4EALDH1A1HSD17B10HPGD

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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