SCHEMBL24844844

SCHEMBL24844844

COC(=O)/C=C/c1ccc(CO)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
FDPS P14324 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TYR P14679 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MEN1 O00255 3/20 0.42
TTR P02766 1/20 0.40
APP P05067 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL24844838 0.86 KMT2A (0.45) KMT2AKDM4ESMN1; SMN2FDPSCA12
SCHEMBL1411068 0.85 CA12 (0.48) KDM4EFDPSCA12CA1CA2
SCHEMBL9944613 0.82 KDM4E (0.45) KMT2AKDM4ESMN1; SMN2FDPSMEN1
SCHEMBL1410986 0.80 EGFR (0.50) KMT2AKDM4ESMN1; SMN2CA12CA1
SCHEMBL1410982 0.80 EGFR (0.50) KMT2AKDM4ESMN1; SMN2CA12CA1
SCHEMBL19079040 0.79 CA12 (0.59) KMT2AKDM4ESMN1; SMN2FDPSCA12
SCHEMBL20198841 0.79 CA12 (0.46) KMT2AKDM4ESMN1; SMN2FDPSCA12
SCHEMBL24844759 0.78 BACE1 (0.40) KMT2AKDM4ESMN1; SMN2FDPSCA12
SCHEMBL7911789 0.78 CA12 (0.68) KMT2AKDM4ESMN1; SMN2FDPSCA12
SCHEMBL1410815 0.78 CA12 (0.68) KMT2AKDM4ESMN1; SMN2FDPSCA12

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-2023274257-A1 IMIDAZOLE COMPOUND, AND INTERMEDIATE AND APPLICATION THEREOF 诸葛国琴 2023-01-05 WO disclosed