SCHEMBL23034206

SCHEMBL23034206

CCOC(=O)c1cc(-c2nc3cc(-c4ccns4)ccc3o2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.41
▸ TP53 P04637 6/20 0.41
▸ RAB9A P51151 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ CASP3 P42574 3/20 0.41
▸ SENP8 Q96LD8 3/20 0.41
▸ SENP7 Q9BQF6 3/20 0.41
▸ SENP6 Q9GZR1 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ 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 3/20 0.39
▸ UTRN P46939 2/20 0.39

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
SCHEMBL29479681 1.00 MAPT (0.41) MAPTTP53RAB9ASMN1; SMN2KDM4E
SCHEMBL23034204 0.84 S1PR1 (0.45) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29479706 0.84 MAPT (0.41) MAPTTP53RAB9ASMN1; SMN2KDM4E
SCHEMBL28713808 0.84 MAPT (0.41) MAPTTP53RAB9ASMN1; SMN2KDM4E
SCHEMBL29479806 0.83 MAPT (0.40) MAPTTP53RAB9ASMN1; SMN2KDM4E
SCHEMBL28707215 0.83 MAPT (0.40) MAPTTP53RAB9ASMN1; SMN2KDM4E
SCHEMBL23012965 0.82 RAB9A (0.41) MAPTTP53RAB9ASMN1; SMN2KDM4E
SCHEMBL23012088 0.82 MAPT (0.41) MAPTTP53RAB9ASMN1; SMN2KDM4E
SCHEMBL29479721 0.82 MAPT (0.41) MAPTTP53RAB9ASMN1; SMN2KDM4E
SCHEMBL29479837 0.82 RAB9A (0.41) MAPTTP53RAB9ASMN1; SMN2KDM4E

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-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
WO-2021032209-A1 ANTI-INFLUENZA VIRUS COMPOUND, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2021-02-25 — — WO disclosed
Send feedback