SCHEMBL24710352

SCHEMBL24710352

CC(C)C[C@H](N)C(=O)Nc1ccc2c(CP(=O)(O)O)cc(=O)oc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.44
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC18A1 P54219 1/20 0.42
SLC18A2 Q05940 1/20 0.42
CIT O14578 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL24709511 1.00 AAK1 (0.44) AAK1POLBMEN1KMT2ARAB9A
SCHEMBL24709525 0.90 POLB (0.45) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL24709602 0.89 KDM4E (0.46) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL24709606 0.89 POLB (0.42) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL24709878 0.88 KDM4E (0.45) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL24709520 0.87 KDM4E (0.44) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL24709516 0.85 AAK1 (0.45) AAK1POLBMEN1KMT2ARAB9A
SCHEMBL24709892 0.85 FNTA (0.43) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL24709922 0.85 POLB (0.41) POLBMEN1KMT2ARAB9AKDM4E
SCHEMBL24710350 0.85 POLB (0.43) AAK1POLBMEN1KMT2ARAB9A

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-2022260135-A1 METHOD FOR PRODUCING FLUORESCENT PROBE LIBRARY USING SOLID-PHASE EXTRACTION AND METHOD OF MEASURING ENZYME ACTIVITY USING SAME 国立大学法人 東京大学 2022-12-15 WO disclosed