SCHEMBL28707215

SCHEMBL28707215

CCOC(=O)c1cc(-c2nc3cc(-c4cn(C)cn4)ccc3o2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ HSD17B10 Q99714 5/20 0.40
▸ TP53 P04637 5/20 0.40
▸ CASP3 P42574 3/20 0.40
▸ SENP8 Q96LD8 3/20 0.40
▸ SENP7 Q9BQF6 3/20 0.40
▸ SENP6 Q9GZR1 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ UTRN P46939 2/20 0.38

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
SCHEMBL29479806 1.00 MAPT (0.40) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29479794 0.87 UTRN (0.40) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23012099 0.87 UTRN (0.40) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23012200 0.86 JMJD6 (0.48) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29479805 0.86 JMJD6 (0.48) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23034194 0.86 KMO (0.40) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29479745 0.86 KMO (0.40) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28714674 0.84 PIM1 (0.44) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29479641 0.84 PIM1 (0.44) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL23033310 0.83 PIM1 (0.44) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1

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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