SCHEMBL623943

SCHEMBL623943

COc1ccc(NC(=O)Nc2ccc(OC)c(C(=O)NCCCN)c2)cn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
PABPC1 P11940 5/20 0.51
KDM4E B2RXH2 3/20 0.48
POLB P06746 3/20 0.48
USP2 O75604 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.44
MCHR1 Q99705 3/20 0.44
ALDH1A1 P00352 1/20 0.43
RECQL P46063 1/20 0.43
LRRK2 Q5S007 1/20 0.43
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL10083543 0.83 MCHR1 (0.47) GAAMCHR1
SCHEMBL625106 0.82 RAB9A (0.48) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL10083554 0.81 KMT2A (0.44) KMT2APOLBLMNAMAPTMCHR1
SCHEMBL10083535 0.81 DDX3X (0.49) MEN1KMT2AMAPTMCHR1
SCHEMBL624218 0.81 KCNMA1 (0.53) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL624200 0.80 MCHR1 (0.61) MCHR1
SCHEMBL624314 0.79 NPC1 (0.59) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL625245 0.78 MEN1 (0.58) MEN1KMT2APOLBLMNATSHR
SCHEMBL624269 0.78 HTT (0.47) MEN1KMT2AKDM4EPOLBLMNA
SCHEMBL625028 0.78 DYRK1A (0.52) MEN1KMT2AKDM4EPOLBLMNA

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