SCHEMBL30463448

SCHEMBL30463448

Cn1ccc(-c2cc(O)cc(O)n2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
JMJD6 Q6NYC1 13/20 0.41
KMT2A Q03164 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KEAP1 Q14145 1/20 0.39
PIK3CD O00329 1/20 0.36
PIP5K1C O60331 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PI4KA P42356 1/20 0.36
PIK3CG P48736 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
SCN4A P35499 1/20 0.33

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
SCHEMBL30695162 0.77 KMT2A (0.44) KDM4EJMJD6KMT2AKDM5BKEAP1
Lithium SCHEMBL31401899 0.76 JMJD6 (0.42) KDM4EJMJD6KMT2AKDM5BKEAP1
SCHEMBL18157906 0.74 KMT2A (0.64) KDM4EJMJD6KMT2AKDM5BKEAP1
Lithium Ion SCHEMBL31561400 0.69 JMJD6 (0.38) KDM4EJMJD6KMT2AKDM5BKEAP1
SCHEMBL15885670 0.68 KEAP1 (0.64) KDM4EJMJD6KMT2AKEAP1PIK3CD
SCHEMBL208629 0.68
SCHEMBL30463467 0.68 KDM5B (0.43) KDM5B
SCHEMBL25253170 0.67 JMJD6 (0.49) KDM4EJMJD6KMT2AKDM5BKEAP1
SCHEMBL3324191 0.67 KMT2A (0.60) KMT2AKEAP1
SCHEMBL31277599 0.67 JMJD6 (0.49) KDM4EJMJD6KMT2AKDM5BKEAP1

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
CN-110072850-B 3-sulfonyl-5-aminopyridine-2, 4-diol APJ agonists 百时美施贵宝公司 2023-07-21 CN claimed
CN-110072850-B 3-sulfonyl-5-aminopyridine-2, 4-diol APJ agonists 百时美施贵宝公司 2023-07-21 CN disclosed