SCHEMBL29176271

SCHEMBL29176271

CCOc1ccc(-c2cc3c([nH]c(=O)n3-c3cc(OC)c(OC)c(OC)c3)c(C(N)=O)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KATNA1 O75449 1/20 0.73
CSNK2A1 P68400 3/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
USP2 O75604 3/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
ESR1 P03372 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 4/20 0.43
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL30800072 0.85 KATNA1 (1.00) KATNA1CSNK2A1CSNK2A2CSNK2BMAPT
SCHEMBL29176296 0.85 KATNA1 (1.00) KATNA1CSNK2A1CSNK2A2CSNK2BMAPT
SCHEMBL29176303 0.84 KATNA1 (0.82) KATNA1CSNK2A1CSNK2A2CSNK2BMAPT
SCHEMBL30799984 0.84 KATNA1 (0.82) KATNA1CSNK2A1CSNK2A2CSNK2BMAPT
SCHEMBL29176274 0.83 KATNA1 (0.80) KATNA1CSNK2A1CSNK2A2CSNK2BMAPT
SCHEMBL30800011 0.83 KATNA1 (0.80) KATNA1CSNK2A1CSNK2A2CSNK2BMAPT
SCHEMBL29176319 0.79 TUBB4A (0.45) KATNA1MAPTKDM4EALDH1A1GAA
SCHEMBL30800070 0.77 KATNA1 (0.62) KATNA1CSNK2A1CSNK2A2CSNK2BMAPT
SCHEMBL28478712 0.77 KATNA1 (0.78) KATNA1CSNK2A1CSNK2A2CSNK2BMAPT
SCHEMBL30800000 0.76 KATNA1 (0.80) KATNA1CSNK2A1CSNK2A2CSNK2BMAPT

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-111732584-B Diaryl substituted fused heterocycle compound and preparation method and application thereof in pharmacy 复旦大学 2024-02-27 CN disclosed