SCHEMBL23033336

SCHEMBL23033336

COC(=O)c1ccnc(-c2nc3cc(NC(C)=O)ccc3o2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.69
▸ NPC1 O15118 7/20 0.57
▸ RAB9A P51151 7/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ POLB P06746 4/20 0.57
▸ HPGD P15428 2/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ NFKB2 Q00653 2/20 0.53
▸ RELA Q04206 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ UTRN P46939 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CASP3 P42574 3/20 0.50
▸ SENP7 Q9BQF6 3/20 0.50
▸ SENP8 Q96LD8 2/20 0.50
▸ SENP6 Q9GZR1 2/20 0.50
▸ HSPD1 P10809 2/20 0.50
▸ PTPN2 P17706 2/20 0.50

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
SCHEMBL23033340 0.87 MAPT (0.53) MAPTRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL23542084 0.83 MAPT (0.78) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23033337 0.83 RAB9A (0.67) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23034143 0.81 MAPT (0.71) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012571 0.78 MAPT (0.60) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL2244809 0.75 NPC1 (0.85) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012175 0.74 NPC1 (0.70) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23034137 0.74 NPC1 (0.67) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL29479597 0.74 NPC1 (0.70) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL4082942 0.74 ALDH1A1 (0.79) MAPTNPC1RAB9AKDM4EALDH1A1

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
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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