SCHEMBL28673545

SCHEMBL28673545

CC(C)Nc1ccccn1.Cl[Co]Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
FDPS P14324 1/20 0.47
CYP1A2 P05177 2/20 0.44
CXCR4 P61073 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK10 P53779 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
FABP1 P07148 1/20 0.43
FABP6 P51161 1/20 0.43
ALOX12 P18054 1/20 0.43
GRM5 P41594 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 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
SCHEMBL85479 0.92 FDPS (0.53) CYP2C19FDPSCYP1A2CXCR4MEN1
Ammonia Solution, Strong SCHEMBL4034014 0.90 FDPS (0.52) CYP2C19FDPSCYP1A2CXCR4MEN1
Dichloroacetic Acid SCHEMBL10510997 0.81 POLB (0.51) FDPSMEN1KMT2AKDM4EL3MBTL1
SCHEMBL19581187 0.79 KDM4E (0.43) CYP2C19FDPSCYP1A2CXCR4MEN1
SCHEMBL19581183 0.79 KDM4E (0.43) CYP2C19FDPSCYP1A2CXCR4MEN1
SCHEMBL25083172 0.76 FDPS (0.50) CYP2C19FDPSCXCR4MEN1MAPK10
SCHEMBL9641327 0.76 FDPS (0.50) CYP2C19FDPSCXCR4MEN1MAPK10
SCHEMBL3644137 0.76 FDPS (0.55) FDPSMEN1MAPK10GFERKMT2A
SCHEMBL24567486 0.76 FDPS (0.50) FDPSCXCR4MEN1MAPK10GFER
SCHEMBL17700093 0.76 FDPS (0.50) FDPSCXCR4MEN1MAPK10GFER

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-113717233-A Aminopyridinyl Co (II) chloride compound for information storage material 许昌学院 2021-11-30 CN disclosed