SCHEMBL28935974

SCHEMBL28935974

COC(=O)c1cc(-c2nc3cc(C4(C(N)=O)CC4(F)F)ccc3o2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 5/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTGS2 P35354 6/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ PPARG P37231 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ PTPN2 P17706 2/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ PTPN5 P54829 2/20 0.37
▸ HSPD1 P10809 1/20 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
SCHEMBL28707209 0.84 MAPT (0.43) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL28936027 0.81 TTR (0.38) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23012355 0.81 TTR (0.38) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23012299 0.78 RAB9A (0.69) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL29479691 0.76 HDAC6 (0.54) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL28701725 0.76 HDAC6 (0.54) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL28698102 0.76 MAPT (0.50) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL28714614 0.76 MAPT (0.52) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL29479688 0.76 MAPT (0.52) MAPTRAB9ASMN1; SMN2TP53KDM4E
SCHEMBL23033392 0.75 MAPT (0.50) MAPTRAB9ASMN1; SMN2TP53KDM4E

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
Send feedback