SCHEMBL4252022

SCHEMBL4252022

CN(C)S(=O)(=O)c1ccc(Cn2nc(N)c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
PTAFR P25105 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GUCY1B2 O75343 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GUCY1A2 P33402 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
SCHEMBL4250973 0.88 PHOSPHO1 (0.45) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4245643 0.86 CA12 (0.43) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4252020 0.83 CNR1 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL4253145 0.81 ALDH1A1 (0.42) HDAC3HDAC1HDAC2HDAC10HDAC8
SCHEMBL30694971 0.78 P2RX4 (0.49) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL17038835 0.78 P2RX4 (0.49) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL958473 0.78 CNR1 (0.58) KDM4EGUCY1B2CYP1A2CHRM2HTR1A
SCHEMBL17039004 0.77 TDP1 (0.50) CYP1A2CYP2D6POLBCNR1CNR2
SCHEMBL29459606 0.77 TDP1 (0.50) CYP1A2CYP2D6POLBCNR1CNR2
SCHEMBL17039042 0.76 CYP2D6 (0.48) HDAC3HDAC1HDAC2HDAC10HDAC8

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