SCHEMBL6532003

SCHEMBL6532003

CCCN(CCC)S(=O)(=O)c1ccc(Cn2nc(C(Oc3ccccc3)C(N)=O)c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 10/20 0.42
CA9 Q16790 10/20 0.42
CA1 P00915 8/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.39
CNR1 P21554 1/20 0.39
CA2 P00918 2/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
UGT1A7 Q9HAW7 1/20 0.38
SLC22A11 Q9NSA0 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL1273818 0.80 MAPT (0.44) CA12CA9CA1POLBGAA
SCHEMBL4245639 0.80 CA12 (0.45) CA12CA9CA1CNR1CA2
SCHEMBL4245643 0.77 CA12 (0.43) CA12CA9CA1POLBGAA
SCHEMBL1273266 0.76 MAPT (0.61) CA12CA9CA1POLBGAA
SCHEMBL6532488 0.74 CA12 (0.46) CA12CA9CA1POLBGAA
SCHEMBL1273704 0.72 ALDH1A1 (0.46) CA12CA9CA1POLBGAA
SCHEMBL4250971 0.72 CNR1 (0.46) GAAMAPTNPSR1CNR1RAB9A
SCHEMBL1273828 0.71 POLB (0.46) CA12CA9POLBGAAMAPT
SCHEMBL1274226 0.71 MAPT (0.54) CA12CA9CA1POLBGAA
SCHEMBL1274203 0.70 POLB (0.46) POLBMAPTTAS2R14

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 disclosed