SCHEMBL625756

SCHEMBL625756

COc1cccc2sc(NC(=O)Nc3cncc(C(=O)NCCCN)c3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.52
DUSP3 P51452 3/20 0.50
DYRK1A Q13627 1/20 0.50
TMIGD3 P0DMS9 1/20 0.48
ADORA1 P30542 1/20 0.48
LMNA P02545 5/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
MAPT P10636 5/20 0.44
POLB P06746 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
SCHEMBL625028 0.84 DYRK1A (0.52) CHRM4DUSP3DYRK1ATMIGD3ADORA1
SCHEMBL624357 0.77 RAB9A (0.51) LMNAMEN1KMT2AKDM4ENPC1
SCHEMBL625899 0.74 MAPT (0.46) TMIGD3ADORA1LMNATP53MEN1
SCHEMBL623932 0.74 RAB9A (0.59) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL625901 0.74 NPC1 (0.57) LMNATP53MEN1KMT2AALDH1A1
SCHEMBL623623 0.73 KDR (0.53) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL4918064 0.72 DYRK1A (0.69) CHRM4DUSP3DYRK1ATMIGD3ADORA1
SCHEMBL20659925 0.71 DYRK1A (0.76) CHRM4DUSP3DYRK1ATMIGD3ADORA1
SCHEMBL4918607 0.71 DYRK1A (0.67) CHRM4DUSP3DYRK1ATMIGD3ADORA1
SCHEMBL22374141 0.70 DYRK1A (0.74) CHRM4DUSP3DYRK1ATMIGD3ADORA1

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