SCHEMBL625958

SCHEMBL625958

COc1ccc(NC(=O)Nc2ccc3nc(C)sc3c2)cc1C(=O)NCCCN

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.60
POLB P06746 3/20 0.60
ALDH1A1 P00352 2/20 0.60
RAB9A P51151 7/20 0.58
NPC1 O15118 4/20 0.58
KDM4E B2RXH2 3/20 0.58
GLA P06280 1/20 0.58
MAPT P10636 4/20 0.56
GAA P10253 2/20 0.55
LMNA P02545 5/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
RXFP1 Q9HBX9 1/20 0.51
LDHA P00338 4/20 0.50
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL12503555 0.86 SMN1; SMN2 (0.56) SMN1; SMN2POLBALDH1A1RAB9ANPC1
SCHEMBL625901 0.84 NPC1 (0.57) SMN1; SMN2POLBALDH1A1RAB9ANPC1
SCHEMBL625106 0.80 RAB9A (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1MAPT
SCHEMBL623932 0.80 RAB9A (0.59) SMN1; SMN2POLBALDH1A1RAB9ANPC1
SCHEMBL625028 0.80 DYRK1A (0.52) SMN1; SMN2POLBALDH1A1RAB9ANPC1
SCHEMBL10083543 0.79 MCHR1 (0.47) GAA
SCHEMBL623943 0.78 MEN1 (0.51) SMN1; SMN2POLBALDH1A1RAB9ANPC1
SCHEMBL10083554 0.78 KMT2A (0.44) POLBALDH1A1MAPTLMNAKMT2A
SCHEMBL10083535 0.77 DDX3X (0.49) MAPTKMT2AMEN1
SCHEMBL624218 0.77 KCNMA1 (0.53) SMN1; SMN2POLBALDH1A1RAB9ANPC1

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