SCHEMBL28707255

SCHEMBL28707255

NC(=O)[C@@]1(c2ccc3oc(-c4ccnc(C(=O)O)c4)cc3c2)C[C@@H]1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 4/20 0.40
▸ MAOB P27338 6/20 0.35
▸ PIM1 P11309 4/20 0.34
▸ PIM2 Q9P1W9 4/20 0.34
▸ MAOA P21397 2/20 0.34
▸ KMO O15229 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ TET3 O43151 1/20 0.32
▸ KDM4A O75164 1/20 0.32
▸ BBOX1 O75936 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM5C P41229 1/20 0.32
▸ ASPH Q12797 1/20 0.32
▸ KDM4D Q6B0I6 1/20 0.32
▸ TET2 Q6N021 1/20 0.32
▸ ALKBH5 Q6P6C2 1/20 0.32
▸ KDM7A Q6ZMT4 1/20 0.32

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
SCHEMBL28695261 0.88 APP (0.41) APPMAOBMAOA
SCHEMBL23012822 0.83 HDAC6 (0.37) KDM4EALDH1A1MAPT
SCHEMBL23012962 0.73 MAPT (0.38) MAPT
SCHEMBL28707209 0.72 MAPT (0.43) KDM4EALDH1A1MAPT
SCHEMBL23012167 0.71 TYK2 (0.39) —
SCHEMBL23033316 0.68 ALDH1A1 (0.41) APPKMOKDM4EKDM6BTET3
SCHEMBL28710788 0.68 NPC1 (0.36) KDM4EALDH1A1MAPT
SCHEMBL28701697 0.67 HDAC6 (0.36) APPKDM4EALDH1A1MAPT
SCHEMBL23012691 0.67 PIM1 (0.65) PIM1PIM2
SCHEMBL23033375 0.67 NPC1 (0.47) APPKDM4EALDH1A1MAPT

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