SCHEMBL23012571

SCHEMBL23012571

COC(=O)c1nccc(-c2nc3cc(NC(C)=O)ccc3o2)c1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.60
▸ NPC1 O15118 9/20 0.59
▸ RAB9A P51151 9/20 0.59
▸ KDM4E B2RXH2 8/20 0.59
▸ ALDH1A1 P00352 6/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ HPGD P15428 3/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ NFKB2 Q00653 2/20 0.59
▸ RELA Q04206 2/20 0.59
▸ TP53 P04637 2/20 0.55
▸ POLB P06746 4/20 0.54
▸ AGPAT2 O15120 2/20 0.51
▸ UTRN P46939 1/20 0.50
▸ PPARG P37231 2/20 0.48
▸ NCOA2 Q15596 2/20 0.48
▸ NCOA1 Q15788 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ NCOA3 Q9Y6Q9 2/20 0.48

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
SCHEMBL23033512 0.90 NPC1 (0.61) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL28936032 0.88 AGPAT2 (0.47) MAPTNPC1RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28710759 0.83 RAB9A (0.56) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012577 0.80 NPC1 (0.61) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23034143 0.79 MAPT (0.71) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23033336 0.78 MAPT (0.69) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012154 0.76 HDAC6 (0.46) MAPTRAB9ASMN1; SMN2TP53POLB
SCHEMBL28713901 0.76 MAPT (0.37) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012208 0.76 MAPT (0.60) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL23012293 0.75 NPC1 (0.46) 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 2 patents. 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
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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