SCHEMBL22717306

SCHEMBL22717306

NC(=O)c1ccnc(Cc2ccccc2)c1Br

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
▸ RPS6KB1 P23443 2/20 0.40
▸ ADRA1D P25100 2/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ ASPH Q12797 2/20 0.38
▸ KDM8 Q8N371 2/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 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
SCHEMBL28295798 0.84 PLA2G2A (0.45) PLA2G2APLA2G10CDC7KDM4AKDM5A
SCHEMBL2306128 0.81 SYK (0.48) PLA2G2APLA2G10CDC7RPS6KB1KDM4E
SCHEMBL45808 0.80 L3MBTL1 (0.41) PLA2G2APLA2G10CDC7KDM4AKDM5A
Hydrochloric Acid SCHEMBL11508163 0.78 SYK (0.46) PLA2G2APLA2G10CDC7RPS6KB1KDM4E
SCHEMBL3462235 0.77 PLA2G10 (0.50) PLA2G2APLA2G10CDC7KDM4ESMO
SCHEMBL19197791 0.76 KDM4C (0.49) KDM4AKDM5AKDM4CKDM5BKDM4E
SCHEMBL18426406 0.74 PLA2G2A (0.39) PLA2G2APLA2G10CDC7KDM4AKDM5A
SCHEMBL7201932 0.72 BCAT2 (0.46) CDC7KDM4EL3MBTL1MEN1ALDH1A1
SCHEMBL5718476 0.72 CYP17A1 (0.46) CDC7KDM4EL3MBTL1NPC1LMNA
SCHEMBL28180892 0.72 PLA2G2A (0.45) PLA2G2APLA2G10CDC7RPS6KB1ADRA1D

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-2020243199-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2020-12-03 — — WO disclosed
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