SCHEMBL4245643

SCHEMBL4245643

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 12/20 0.43
CA9 Q16790 12/20 0.43
CA1 P00915 7/20 0.42
CA2 P00918 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
ABCC2 Q92887 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
UGT1A7 Q9HAW7 1/20 0.40
SLC22A11 Q9NSA0 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
GAA P10253 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
SCHEMBL4250973 0.91 PHOSPHO1 (0.45) RAB9ASMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL4252022 0.86 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4245639 0.85 CA12 (0.45) CA12CA9CA1CA2RAB9A
SCHEMBL6532488 0.81 CA12 (0.46) CA12CA9CA1CA2RAB9A
SCHEMBL4253145 0.79 ALDH1A1 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL6532003 0.77 CA12 (0.42) CA12CA9CA1CA2RAB9A
SCHEMBL4250971 0.76 CNR1 (0.46) RAB9AHDAC3HDAC1HDAC2HDAC10
SCHEMBL1273266 0.75 MAPT (0.61) CA12CA9CA1SMN1; SMN2GAA
SCHEMBL17038835 0.75 P2RX4 (0.49) RAB9ASMN1; SMN2ALDH1A1KDM4EGUCY1B2
SCHEMBL30694971 0.75 P2RX4 (0.49) RAB9ASMN1; SMN2ALDH1A1KDM4EGUCY1B2

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 4 patents. 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
EP-2117577-A1 G PROTEIN-COUPLED RECEPTOR AND MODULATORS THEREOF FOR THE TREATMENT OF GABA-RELATED NEUROLOGICAL DISORDERS INCLUDING SLEEP-RELATED DISORDERS Arena Pharmaceuticals, Inc. (US) 2009-11-18 EP disclosed
WO-2008085888-A1 G PROTEIN-COUPLED RECEPTOR AND MODULATORS THEREOF FOR THE TREATMENT OF GABA-RELATED NEUROLOGICAL DISORDERS INCLUDING SLEEP-RELATED DISORDERS ARENA PHARMACEUTICALS, INC. (US) 2008-07-17 WO disclosed
WO-2005056532-A1 INDAZOLE DERIVATIVES WHICH INTERACT WITH THE G-PROTEIN COUPLED RECEPTOR FAMILY BIOFOCUS DISCOVERY LIMITED (GB) 2005-06-23 WO disclosed