SCHEMBL625381

SCHEMBL625381

NCCCNC(=O)c1cccc(NC(=O)Nc2nc(-c3ccccn3)cs2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.62
KDM4A O75164 3/20 0.53
KDM4B O94953 3/20 0.53
KDM5B Q9UGL1 3/20 0.53
CSNK2A2 P19784 1/20 0.53
CSNK2B P67870 1/20 0.53
AGTR1 P30556 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
KDM5C P41229 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 4/20 0.49
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GRM1 Q13255 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL625180 0.84 ADORA3 (0.53) ADORA3KDM4AKDM4BKDM5BAGTR1
SCHEMBL14962261 0.77 MAPT (0.60) ADORA3MAPTMEN1HTTKMT2A
SCHEMBL625053 0.76 MEN1 (0.58) SMN1; SMN2MAPTMEN1HTTKMT2A
SCHEMBL625193 0.75 KDM4A (0.43) ADORA3KDM4AKDM4BKDM5BCSNK2A2
SCHEMBL15173923 0.74 ADORA3 (0.61) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL627404 0.73 RAB9A (0.59) SMN1; SMN2KDM4EMAPTMEN1HTT
SCHEMBL15183181 0.73 ADORA3 (0.72) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL19783013 0.73 ADORA3 (0.78) ADORA3KDM4AKDM4BKDM5BAGTR1
SCHEMBL31361544 0.72 ADORA3 (0.77) ADORA3KDM4AKDM4BKDM5BKDM5C
SCHEMBL31361489 0.72 ADORA3 (0.76) ADORA3KDM4AKDM4BKDM5BKDM5C

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