SCHEMBL625028

SCHEMBL625028

COc1ccc(NC(=O)Nc2nc3c(OC)cccc3s2)cc1C(=O)NCCCN

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.52
TMIGD3 P0DMS9 1/20 0.50
ADORA1 P30542 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
BLM P54132 1/20 0.49
MCL1 Q07820 1/20 0.49
DUSP3 P51452 3/20 0.49
CHRM4 P08173 1/20 0.49
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PPARG P37231 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NR2E3 Q9Y5X4 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
SCHEMBL625901 0.89 NPC1 (0.57) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL625756 0.84 CHRM4 (0.52) DYRK1ATMIGD3ADORA1MEN1KMT2A
SCHEMBL625106 0.81 RAB9A (0.48) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL625958 0.80 SMN1; SMN2 (0.60) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL10083535 0.80 DDX3X (0.49) MEN1KMT2AMAPTMCHR1
SCHEMBL624218 0.80 KCNMA1 (0.53) ADORA1MEN1KMT2ALMNAMAPT
SCHEMBL625245 0.79 MEN1 (0.58) MEN1KMT2ALMNAMAPTHPGD
SCHEMBL623943 0.78 MEN1 (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL627332 0.78 MAPT (0.49) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL10083543 0.78 MCHR1 (0.47) GAAPKMMCHR1

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