SCHEMBL29479728

SCHEMBL29479728

Cn1cc(-c2ccc3oc(-c4ccnc(C(=O)O)c4)nc3c2)nn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ KDM3A Q9Y4C1 1/20 0.38
▸ GSK3B P49841 5/20 0.38
▸ DYRK1A Q13627 5/20 0.38
▸ WNT1 P04628 3/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B10 Q99714 1/20 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
SCHEMBL23012783 1.00 KMO (0.41) KMOKDM4EKDM4AKDM5CKDM4C
SCHEMBL23012095 0.89 MAPT (0.45) KDM4EGSK3BDYRK1AWNT1HDAC6
SCHEMBL29479774 0.89 MAPT (0.45) KDM4EGSK3BDYRK1AWNT1HDAC6
SCHEMBL29479745 0.85 KMO (0.40) KMOKDM4EHDAC6NPC1ALDH1A1
SCHEMBL23034194 0.85 KMO (0.40) KMOKDM4EHDAC6NPC1ALDH1A1
SCHEMBL23033416 0.85 JMJD6 (0.43) KMOKDM4EHDAC6NPC1ALDH1A1
SCHEMBL29479714 0.84 NPC1 (0.40) KDM4EHDAC6NPC1ALDH1A1RAB9A
SCHEMBL23012818 0.84 NPC1 (0.40) KDM4EHDAC6NPC1ALDH1A1RAB9A
SCHEMBL28935931 0.83 UTRN (0.37) KDM4EKDM4AKDM5CKDM4CKDM2A
SCHEMBL23033561 0.82 PIM1 (0.55) GSK3BDYRK1AWNT1HPSE

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-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
Send feedback