SCHEMBL570105

SCHEMBL570105

Cc1c(NC(=O)c2n[nH]c(-c3cccs3)c2C)cccc1C(=O)NCCCN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38
CCNE2 O96020 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
HDAC3 O15379 4/20 0.36
HDAC1 Q13547 3/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GSK3B P49841 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL569981 0.84 L3MBTL1 (0.43) NPC1RAB9AMAPTHDAC3L3MBTL1
SCHEMBL569267 0.81 MAPT (0.42) NPC1RAB9AMAPTGAAL3MBTL1
SCHEMBL569246 0.81 HDAC3 (0.45) NPC1RAB9AMAPTHDAC3HDAC1
SCHEMBL10182364 0.77 MAPT (0.43) NPC1RAB9AMAPTTHRBKMT2A
SCHEMBL569395 0.69 ALDH1A1 (0.38) MAPTMEN1KMT2AKDM4E
SCHEMBL570366 0.68 KMT2A (0.49) CDK4CCND1CCNE2CCNE1CDK2
SCHEMBL569240 0.66 MCHR1 (0.45) CDK2MAPTMEN1KMT2ATP53
SCHEMBL569973 0.66 CHEK1 (0.38) HDAC3HDAC1
SCHEMBL569785 0.66 HDAC8 (0.42) MAPTTHRBMEN1KMT2A
SCHEMBL570415 0.66 PTPN7 (0.39) MAPTTHRBGAAL3MBTL1MEN1

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
EP-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 WO disclosed