SCHEMBL28935931

SCHEMBL28935931

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UTRN P46939 5/20 0.37
▸ KDM4E B2RXH2 6/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35

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
SCHEMBL28714666 0.85 NPC1 (0.38) UTRNKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28711069 0.85 NPC1 (0.38) UTRNKDM4ENPC1ALDH1A1RAB9A
SCHEMBL23012818 0.84 NPC1 (0.40) UTRNKDM4ENPC1ALDH1A1RAB9A
SCHEMBL29479714 0.84 NPC1 (0.40) UTRNKDM4ENPC1ALDH1A1RAB9A
SCHEMBL29479728 0.83 KMO (0.41) UTRNKDM4ENPC1ALDH1A1RAB9A
SCHEMBL23012783 0.83 KMO (0.41) UTRNKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28707207 0.82 PIM1 (0.44) UTRNKDM4ENPC1ALDH1A1RAB9A
SCHEMBL28935936 0.81 NPC1 (0.36) UTRNKDM4ENPC1ALDH1A1RAB9A
SCHEMBL23012095 0.81 MAPT (0.45) UTRNKDM4ENPC1ALDH1A1RAB9A
SCHEMBL29479774 0.81 MAPT (0.45) UTRNKDM4ENPC1ALDH1A1RAB9A

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
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