SCHEMBL625180

SCHEMBL625180

COc1ccc(NC(=O)Nc2nc(-c3ccccn3)cs2)cc1C(=O)NCCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.53
MAPT P10636 4/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
PKM P14618 1/20 0.47
PPP1CA P62136 1/20 0.47
AGTR1 P30556 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
NPY5R Q15761 1/20 0.46
KDM4A O75164 2/20 0.46
KDM4B O94953 2/20 0.46
KDM5B Q9UGL1 2/20 0.46
PAX8 Q06710 1/20 0.45
SLC2A1 P11166 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44

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
SCHEMBL625381 0.84 ADORA3 (0.62) ADORA3MAPTALDH1A1L3MBTL1AGTR1
SCHEMBL624218 0.82 KCNMA1 (0.53) MAPTALDH1A1KDM4EMAPK1MEN1
SCHEMBL625901 0.80 NPC1 (0.57) MAPTALDH1A1L3MBTL1PKMKDM4E
SCHEMBL625106 0.77 RAB9A (0.48) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL625245 0.77 MEN1 (0.58) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL625028 0.77 DYRK1A (0.52) MAPTALDH1A1L3MBTL1PKMAGTR1
SCHEMBL624269 0.75 HTT (0.47) MAPTALDH1A1KDM4EMAPK1MEN1
SCHEMBL623943 0.75 MEN1 (0.51) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL10083535 0.75 DDX3X (0.49) MAPTMEN1KMT2A
SCHEMBL10083543 0.74 MCHR1 (0.47) PKM

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