SCHEMBL625901

SCHEMBL625901

COc1ccc(NC(=O)Nc2nc3ccccc3s2)cc1C(=O)NCCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
PKM P14618 1/20 0.57
PAX8 Q06710 1/20 0.57
MAPT P10636 6/20 0.56
KLF5 Q13887 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 4/20 0.52
KDM4E B2RXH2 4/20 0.52
POLB P06746 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
HTT P42858 1/20 0.52
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
GAA P10253 1/20 0.49
NTRK1 P04629 1/20 0.48

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
SCHEMBL625028 0.89 DYRK1A (0.52) NPC1RAB9AL3MBTL1PKMPAX8
SCHEMBL625958 0.84 SMN1; SMN2 (0.60) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL625106 0.81 RAB9A (0.48) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL625180 0.80 ADORA3 (0.53) L3MBTL1PKMPAX8MAPTMEN1
SCHEMBL624218 0.80 KCNMA1 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL10083535 0.78 DDX3X (0.49) MAPTMEN1KMT2AMCHR1
SCHEMBL627332 0.78 MAPT (0.49) NPC1RAB9AL3MBTL1MAPTMEN1
SCHEMBL10083543 0.78 MCHR1 (0.47) PKMGAAMCHR1
SCHEMBL10182254 0.76 NPC1 (0.48) NPC1RAB9APKMPAX8KLF5
SCHEMBL623943 0.76 MEN1 (0.51) NPC1RAB9AMAPTMEN1KMT2A

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