SCHEMBL6152416

SCHEMBL6152416

CC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1n2CCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
THRB P10828 1/20 0.51
TP53 P04637 4/20 0.50
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
NPC1 O15118 1/20 0.48
HDAC1 Q13547 4/20 0.48
HDAC6 Q9UBN7 4/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 2/20 0.45

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
SCHEMBL354757 0.88 FABP4 (0.57) MAPTSMN1; SMN2THRBTP53NPC1
SCHEMBL13036112 0.76 KMT2A (0.52) MAPTSMN1; SMN2THRBTP53NPC1
SCHEMBL2779648 0.76 HDAC1 (0.59) MAPTSMN1; SMN2THRBTP53FNTA
SCHEMBL353757 0.75 NPC1 (0.49) MAPTSMN1; SMN2THRBTP53NPC1
SCHEMBL2775334 0.75 HDAC1 (0.48) MAPTSMN1; SMN2THRBTP53FNTA
SCHEMBL355352 0.73 FABP4 (0.82) MAPTSMN1; SMN2TP53HDAC1HDAC6
SCHEMBL14160797 0.71 NPC1 (0.68) MAPTSMN1; SMN2THRBTP53NPC1
SCHEMBL354539 0.70 FABP4 (0.64) MAPTSMN1; SMN2THRBTP53HDAC1
SCHEMBL354562 0.70 FABP4 (0.64) MAPTSMN1; SMN2TP53HDAC1HDAC6
SCHEMBL353478 0.70 FABP4 (0.64) MAPTSMN1; SMN2HDAC1HDAC6HDAC3

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-1497453-A1 METHODS FOR MEASURING PROTEIN KINASE AND PHOSPHATASE ACTIVITY Amersham Biosciences UK Limited (GB) 2005-01-19 EP disclosed
WO-2003089665-A1 METHODS FOR MEASURING PROTEIN KINASE AND PHOSPHATASE ACTIVITY AMERSHAM BIOSCIENCES UK LIMITED (GB) 2003-10-30 WO disclosed