SCHEMBL570374

SCHEMBL570374

COc1ccc(NC(=O)c2c(C)[nH]c3ccccc23)cc1C(=O)NCCCN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
MAPK1 P28482 3/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ATM Q13315 1/20 0.43
NR4A2 P43354 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL569891 0.83 MEN1 (0.53) MAPTHDAC3HDAC1MEN1KMT2A
SCHEMBL570469 0.81 FLT3 (0.56) RAB9AKDM4ESMN1; SMN2HDAC3HDAC1
SCHEMBL10182254 0.80 NPC1 (0.48) RAB9AKDM4ESMN1; SMN2POLBHSD17B10
SCHEMBL10182311 0.78 HDAC1 (0.54) MAPTKDM4ENR4A2HDAC3HDAC1
SCHEMBL10083554 0.78 KMT2A (0.44) MAPTHDAC3HDAC1POLBHSD17B10
SCHEMBL570321 0.77 NPC1 (0.45) MAPTRAB9ASMN1; SMN2HDAC3HDAC1
SCHEMBL570358 0.76 ABL1 (0.43) MAPTHDAC3HDAC1POLBKMT2A
SCHEMBL10182509 0.76 MEN1 (0.47) MAPTMAPK1RAB9AKDM4ESMN1; SMN2
SCHEMBL570393 0.76 DRD2 (0.47) MAPTRAB9AKDM4ESMN1; SMN2POLB
SCHEMBL10183283 0.75 HDAC3 (0.52) MAPTMAPK1KDM4ESMN1; SMN2HDAC3

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