SCHEMBL28903236

SCHEMBL28903236

O=Cc1nc2cc(-c3cccc(-c4ccn5c(Cl)c(C=O)nc5c4)c3Cl)ccn2c1Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL23725819 0.99 ALDH1A1 (0.36) ALDH1A1GAAGLAHPGDKDM4E
SCHEMBL25664307 0.89 ALDH1A1 (0.31) ALDH1A1GAAGLAHPGD
SCHEMBL28903498 0.87 KDM4E (0.32) ALDH1A1GAAGLAHPGDKDM4E
SCHEMBL23726162 0.86 KDM4E (0.31) KDM4EMAPTNPSR1
SCHEMBL23724981 0.82 PDCD1LG2 (0.42)
SCHEMBL23726410 0.75 ALDH1A1 (0.33) ALDH1A1GAAGLAHPGDKDM4E
SCHEMBL22519132 0.72 KDM4E (0.55) ALDH1A1GAAGLAHPGDKDM4E
SCHEMBL31096158 0.70 GRM2 (0.33)
SCHEMBL31095986 0.70 DYRK1B (0.42) ALDH1A1GAAGLAHPGDKDM4E
SCHEMBL23725093 0.69 MAPT (0.40) ALDH1A1GAAKDM4EL3MBTL1MAPT

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-115413275-A Substituted 1,1 , -biphenyl compounds and methods of use thereof 爱彼特生物制药公司 2022-11-29 CN disclosed