SCHEMBL569794

SCHEMBL569794

COc1ccc(NC(=O)c2n[nH]c(-c3ccco3)c2C)cc1C(=O)N(C)CCCN

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KLK7 P49862 1/20 0.41
LCLAT1 Q6UWP7 8/20 0.40
TP53 P04637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ESR1 P03372 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.40
USP2 O75604 1/20 0.37
PTPN7 P35236 1/20 0.37
NR4A1 P22736 1/20 0.37
TSHR P16473 1/20 0.36
PKM P14618 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL569244 0.86 MAPT (0.43) MAPTMEN1KMT2AKLK7LCLAT1
SCHEMBL10182473 0.79 MEN1 (0.45) MAPTMEN1KMT2AKLK7LCLAT1
SCHEMBL569407 0.79 LCLAT1 (0.45) MAPTLCLAT1TP53PTPN7
SCHEMBL570415 0.77 PTPN7 (0.39) MAPTMEN1KMT2ATP53KDM4E
SCHEMBL569329 0.74 MAPK8 (0.42) MAPTMEN1KMT2ATP53KDM4E
SCHEMBL570487 0.73 NPC1 (0.45) MAPTMEN1KMT2ALCLAT1KDM4E
SCHEMBL569240 0.73 MCHR1 (0.45) MAPTMEN1KMT2ATP53
SCHEMBL12473477 0.72 MEN1 (0.37) MAPTMEN1KMT2AKLK7LCLAT1
SCHEMBL569399 0.71 TTK (0.39) MAPTMEN1KMT2A
SCHEMBL569267 0.70 MAPT (0.42) MAPTMEN1KMT2ATP53KDM4E

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