SCHEMBL23012913

SCHEMBL23012913

COC(=O)c1cc(-c2cc3cc(N)ccc3o2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 6/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ FLT3 P36888 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PLAU P00749 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36

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
SCHEMBL23033594 0.85 ADRA2A (0.48) TP53MAPTRAB9AHDAC6MAOB
SCHEMBL23012217 0.81 MAOB (0.57) MAPTRAB9ASMN1; SMN2MAOAMAOB
SCHEMBL23012299 0.80 RAB9A (0.69) TP53MAPTRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29479664 0.77 GSK3B (0.45) —
SCHEMBL23012523 0.77 GSK3B (0.45) —
SCHEMBL28695261 0.77 APP (0.41) APPHDAC6MAOAMAOBMAPK1
SCHEMBL1336313 0.75 ALDH1A1 (0.50) MAPTALDH1A1GAAMAPK1
SCHEMBL211674 0.74 FLT3 (0.67) TP53MAPTRAB9ASMN1; SMN2FLT3
Hydrochloric Acid SCHEMBL31345624 0.74 ALDH1A1 (0.49) MAPTALDH1A1GAAMAPK1
SCHEMBL30800091 0.73 ALDH1A1 (0.54) TP53MAPTALDH1A1MAPK1

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
Send feedback