SCHEMBL625959

SCHEMBL625959

NCCCNC(=O)c1cncc(NC(=O)Nc2nc3ccccc3o2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.46
SCD O00767 1/20 0.43
GALK1 P51570 2/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 2/20 0.39
EGFR P00533 2/20 0.39
ABL1 P00519 2/20 0.39
SRC P12931 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL10083553 0.74 KDM4E (0.51) GAAEGFRABL1SRCSMN1; SMN2
SCHEMBL623623 0.73 KDR (0.53) HDAC6NPC1RAB9AEGFRABL1
SCHEMBL627181 0.73 ROCK2 (0.54) NPC1RAB9ACSNK1DCSNK2A1
SCHEMBL623932 0.72 RAB9A (0.59) NPC1RAB9AGAASMN1; SMN2POLB
SCHEMBL23566353 0.72 SCD (0.63) HDAC6SCDNPC1RAB9AGAA
SCHEMBL21858360 0.71 RAB9A (0.61) SCDNPC1RAB9AGAASMN1; SMN2
SCHEMBL624357 0.71 RAB9A (0.51) NPC1RAB9AGAASMN1; SMN2HDAC3
SCHEMBL623924 0.70 ABL1 (0.56) EGFRABL1SRCALDH1A1BCR
SCHEMBL625756 0.69 CHRM4 (0.52) NPC1RAB9AGAAABL1SMN1; SMN2
SCHEMBL625899 0.69 MAPT (0.46) NPC1RAB9AGAASMN1; SMN2TP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed