SCHEMBL624314

SCHEMBL624314

COc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)NCCCN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.59
RAB9A P51151 11/20 0.59
MAPT P10636 6/20 0.59
TP53 P04637 4/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
SMN1; SMN2 Q16637 5/20 0.53
PKM P14618 2/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
POLB P06746 3/20 0.52
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
KDM4E B2RXH2 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
SCHEMBL10083543 0.82 MCHR1 (0.47) PKM
SCHEMBL10083554 0.81 KMT2A (0.44) MAPTHSD17B10KMT2ALMNAPOLB
SCHEMBL10083535 0.81 DDX3X (0.49) MAPTKMT2AMEN1
SCHEMBL624200 0.80 MCHR1 (0.61)
SCHEMBL623943 0.79 MEN1 (0.51) NPC1RAB9AMAPTTSHRKMT2A
SCHEMBL625266 0.77 MCHR1 (0.51) NPC1RAB9AMAPTHSD17B10KMT2A
SCHEMBL624218 0.77 KCNMA1 (0.53) NPC1RAB9AMAPTTP53TSHR
SCHEMBL625106 0.76 RAB9A (0.48) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL625958 0.75 SMN1; SMN2 (0.60) NPC1RAB9AMAPTTSHRKMT2A
SCHEMBL624269 0.74 HTT (0.47) RAB9AMAPTTP53HSD17B10KMT2A

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