SCHEMBL23012361

SCHEMBL23012361

Cn1nncc1-c1ccc2oc(-c3ccnc(Br)c3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.40
▸ RAB9A P51151 8/20 0.40
▸ KDM4E B2RXH2 7/20 0.39
▸ HSD17B10 Q99714 7/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ TP53 P04637 5/20 0.39
▸ HPGD P15428 4/20 0.39
▸ GFER P55789 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37

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
SCHEMBL29479662 1.00 NPC1 (0.40) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL23033423 0.84 HDAC6 (0.38) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL28698097 0.84 NPC1 (0.36) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL29479616 0.81 MAPT (0.45) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL23012876 0.81 MAPT (0.45) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL23012818 0.78 NPC1 (0.40) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL29479714 0.78 NPC1 (0.40) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL23033379 0.75 NPC1 (0.39) NPC1RAB9AKDM4EHSD17B10ALDH1A1
SCHEMBL23033952 0.73 PIK3CB (0.67) NPC1RAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL29479584 0.73 PIK3CB (0.67) NPC1RAB9AKDM4EHSD17B10SMN1; SMN2

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 3 patents. 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
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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