SCHEMBL28295798

SCHEMBL28295798

NC(=O)c1ccnc(Cc2ccccc2)c1C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.45
▸ PLA2G10 O15496 2/20 0.45
▸ CDC7 O00311 2/20 0.44
▸ KDM4A O75164 1/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ RPS6KB1 P23443 3/20 0.40
▸ KDM4E B2RXH2 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ASPH Q12797 2/20 0.38
▸ KDM8 Q8N371 2/20 0.38

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
SCHEMBL22717306 0.84 PLA2G2A (0.45) PLA2G2APLA2G10CDC7KDM4AKDM5A
SCHEMBL2306128 0.81 SYK (0.48) PLA2G2APLA2G10CDC7ALDH1A1MAPT
SCHEMBL45808 0.80 L3MBTL1 (0.41) PLA2G2APLA2G10CDC7KDM4AKDM5A
Hydrochloric Acid SCHEMBL11508163 0.78 SYK (0.46) PLA2G2APLA2G10CDC7ALDH1A1MAPT
SCHEMBL3462235 0.77 PLA2G10 (0.50) PLA2G2APLA2G10CDC7ALDH1A1MAPT
SCHEMBL19197791 0.76 KDM4C (0.49) KDM4AKDM5AKDM4CKDM5BALDH1A1
SCHEMBL28295740 0.75 PLA2G10 (0.45) PLA2G2APLA2G10CDC7ALDH1A1MAPT
SCHEMBL18426406 0.74 PLA2G2A (0.39) PLA2G2APLA2G10CDC7KDM4AKDM5A
SCHEMBL28297870 0.74 PTPN1 (0.41) KDM4AKDM5AKDM4CKDM5B
SCHEMBL22265949 0.72 PLA2G2A (0.49) PLA2G2APLA2G10ALDH1A1MAPTHPGD

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-109701574-A The preparation and the application in pyridine cyclics hydrogenation reaction that nitrogen modifies charcoal supported noble metal hydrogenation catalyst 浙江工业大学 2019-05-03 — — CN disclosed
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