SCHEMBL624209

SCHEMBL624209

Cn1nc(-c2cccs2)cc1NC(=O)Nc1cncc(C(=O)NCCCN)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 7/20 0.41
KDM1A O60341 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
NTRK1 P04629 1/20 0.39
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MAPK14 Q16539 1/20 0.36
NAMPT P43490 1/20 0.36
FYN P06241 1/20 0.36
XBP1 P17861 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL10084313 0.80 MEN1 (0.34) NTRK1MAPTPOLBABL1EGFR
SCHEMBL624210 0.79 MAPK8 (0.39) CAMK2DHDAC3HDAC1MAPTPOLB
SCHEMBL624357 0.71 RAB9A (0.51) HDAC3HDAC1MAPTPOLBLMNA
SCHEMBL10083553 0.70 KDM4E (0.51) POLBABL1EGFRSRCALDH1A1
SCHEMBL13974535 0.70 ADORA2A (0.49) KDM1AALDH1A1HPGDMAPK14FYN
SCHEMBL2850317 0.69 KDM1A (0.58) KDM1AHDAC3HDAC1NTRK1MAPT
SCHEMBL623932 0.69 RAB9A (0.59) MAPTPOLBALDH1A1HTT
SCHEMBL623924 0.68 ABL1 (0.56) MAPTABL1EGFRSRCALDH1A1
SCHEMBL623623 0.67 KDR (0.53) HDAC3HDAC1MAPTPOLBABL1
SCHEMBL625959 0.67 HDAC6 (0.46) HDAC3HDAC1POLBABL1EGFR

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