SCHEMBL6532488

SCHEMBL6532488

CCCN(CCC)S(=O)(=O)c1ccc(Cn2nc(NC(C)=O)c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.46
CA9 Q16790 12/20 0.46
CA1 P00915 7/20 0.45
FSCN1 Q16658 1/20 0.43
CCR4 P51679 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CA2 P00918 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
SCHEMBL6532344 0.92 ALDH1A1 (0.48) FSCN1CCR4HDAC3HDAC1HDAC2
SCHEMBL1273266 0.85 MAPT (0.61) CA12CA9CA1FSCN1MAPT
SCHEMBL1273704 0.85 ALDH1A1 (0.46) CA12CA9CA1MAPTPOLB
SCHEMBL1273818 0.84 MAPT (0.44) CA12CA9CA1FSCN1MAPT
SCHEMBL1274226 0.83 MAPT (0.54) CA12CA9CA1MAPTPOLB
SCHEMBL1274203 0.83 POLB (0.46) CCR4MAPTPOLBKMT2A
SCHEMBL1273828 0.82 POLB (0.46) CA12CA9CCR4MAPTPOLB
SCHEMBL4245639 0.82 CA12 (0.45) CA12CA9CA1HDAC3HDAC1
SCHEMBL1273830 0.81 GLA (0.41) CA12CA9CA1FSCN1MAPT
SCHEMBL1273733 0.81 GLA (0.55) MAPTPOLBMEN1HTTKMT2A

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-2005056532-A1 INDAZOLE DERIVATIVES WHICH INTERACT WITH THE G-PROTEIN COUPLED RECEPTOR FAMILY BIOFOCUS DISCOVERY LIMITED (GB) 2005-06-23 WO claimed