SCHEMBL23012200

SCHEMBL23012200

CCOC(=O)c1cc(-c2nc3cc(-c4ccn(C)n4)ccc3o2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 5/20 0.48
▸ MAPT P10636 8/20 0.40
▸ RAB9A P51151 4/20 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
▸ TP53 P04637 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPC1 O15118 2/20 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

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
SCHEMBL29479805 1.00 JMJD6 (0.48) JMJD6MAPTRAB9ACASP3SENP8
SCHEMBL28707215 0.86 MAPT (0.40) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL29479806 0.86 MAPT (0.40) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL23033416 0.86 JMJD6 (0.43) JMJD6RAB9ATP53SMN1; SMN2KDM4E
SCHEMBL29479641 0.84 PIM1 (0.44) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL28714674 0.84 PIM1 (0.44) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL23012088 0.83 MAPT (0.41) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL23033310 0.83 PIM1 (0.44) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL23012965 0.83 RAB9A (0.41) MAPTRAB9ACASP3SENP8SENP7
SCHEMBL29479721 0.83 MAPT (0.41) MAPTRAB9ACASP3SENP8SENP7

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 4 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
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
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
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