SCHEMBL625193

SCHEMBL625193

NCCCNC(=O)c1cccc(N(C(N)=O)c2nc(-c3ccccn3)cs2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 3/20 0.43
KDM4B O94953 3/20 0.43
KDM5B Q9UGL1 3/20 0.43
ADORA3 P0DMS8 3/20 0.43
BRD4 O60885 1/20 0.42
ABL1 P00519 2/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
GRM1 Q13255 4/20 0.41
KDM5C P41229 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
NCOA1 Q15788 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL625381 0.75 ADORA3 (0.62) KDM4AKDM4BKDM5BADORA3ABL1
SCHEMBL5425263 0.71 GRM1 (0.47) KDM4AKDM4BKDM5BCSNK2A2CSNK2B
SCHEMBL4656459 0.69 MAPT (0.47) ADORA3GRM1POLBMAPTL3MBTL1
SCHEMBL4655569 0.69 GRM1 (0.44) KDM4AKDM4BKDM5BGRM1MAPT
SCHEMBL4561840 0.68 POLB (0.65) KDM4EPOLBMAPTSMN1; SMN2MEN1
SCHEMBL4715149 0.68 GRM1 (0.45) KDM4AKDM4BKDM5BGRM1KDM5C
SCHEMBL5429093 0.68 GRM1 (0.40) ADORA3GRM1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL16151772 0.68 SMN1; SMN2 (0.69) ABL1EGFRSRCKDM4EL3MBTL1
SCHEMBL4657866 0.67 GRM1 (0.44) GRM1GRIA1
SCHEMBL14962261 0.67 MAPT (0.60) ADORA3MAPTMEN1KMT2A

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-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed