SCHEMBL625245

SCHEMBL625245

COc1ccc(NC(=O)Nc2cccc3cccnc23)cc1C(=O)NCCCN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
POLB P06746 4/20 0.58
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
MECP2 P51608 1/20 0.56
RAB9A P51151 2/20 0.56
HCRTR1 O43613 1/20 0.56
LMNA P02545 2/20 0.52
HPGD P15428 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
HDAC8 Q9BY41 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL624269 0.89 HTT (0.47) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL627332 0.83 MAPT (0.49) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL625053 0.82 MEN1 (0.58) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL624171 0.82 HDAC6 (0.64) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL10083535 0.80 DDX3X (0.49) MEN1KMT2AMAPTHDAC3HDAC1
SCHEMBL6109149 0.79 MCHR1 (0.64) MEN1KMT2APOLB
SCHEMBL625028 0.79 DYRK1A (0.52) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL5815668 0.78 MAPT (0.44) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL623943 0.78 MEN1 (0.51) MEN1KMT2APOLBMAPTSMN1; SMN2
SCHEMBL624218 0.78 KCNMA1 (0.53) MEN1KMT2APOLBMAPTSMN1; SMN2

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