SCHEMBL570487

SCHEMBL570487

Cc1c(C(=O)Nc2cccc(C(=O)NCCCN)c2)n[nH]c1-c1ccco1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PAX8 Q06710 1/20 0.43
LCLAT1 Q6UWP7 1/20 0.41
POLB P06746 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MCL1 Q07820 2/20 0.41
HPGD P15428 2/20 0.41
ABL1 P00519 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CTDSP1 Q9GZU7 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
SCHEMBL569329 0.90 MAPK8 (0.42) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL570415 0.86 PTPN7 (0.39) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL569244 0.84 MAPT (0.43) NPC1RAB9ALCLAT1POLBMEN1
SCHEMBL569407 0.82 LCLAT1 (0.45) LCLAT1MAPTLMNA
SCHEMBL10182721 0.76 NPC1 (0.46) NPC1RAB9APAX8LCLAT1POLB
SCHEMBL570488 0.74 NPC1 (0.50) NPC1RAB9APAX8POLBMEN1
SCHEMBL569471 0.74 RET (0.44) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL569794 0.73 MAPT (0.42) NPC1RAB9ALCLAT1POLBMEN1
SCHEMBL10083551 0.70 PAX8 (0.52) NPC1RAB9APAX8MEN1KMT2A
SCHEMBL569981 0.69 L3MBTL1 (0.43) NPC1RAB9AMEN1KMT2AMAPT

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