SCHEMBL28698045

SCHEMBL28698045

Cn1ccnc1-c1ccc2nc(-c3ccnc(C=O)c3)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 0.41
▸ RAB9A P51151 10/20 0.41
▸ KDM4E B2RXH2 8/20 0.41
▸ ALDH1A1 P00352 8/20 0.41
▸ HPGD P15428 8/20 0.41
▸ SMN1; SMN2 Q16637 8/20 0.41
▸ MAPT P10636 5/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ HCRTR1 O43613 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 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
SCHEMBL29479732 1.00 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL28710708 0.91 KDM4E (0.40) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL28714608 0.83 GPR119 (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL29479720 0.83 GPR119 (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL28698093 0.81 GPR119 (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL29479767 0.81 GPR119 (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL28710798 0.79 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL29479707 0.79 NPC1 (0.41) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL23033684 0.74 HPSE (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL28711069 0.74 NPC1 (0.38) NPC1RAB9AKDM4EALDH1A1HPGD

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
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