SCHEMBL4252020

SCHEMBL4252020

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
PTGER4 P35408 5/20 0.46
MCL1 Q07820 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
PARP1 P09874 1/20 0.43
CFD P00746 5/20 0.42
CYP2D6 P10635 1/20 0.41
ELANE P08246 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 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
SCHEMBL4250971 0.89 CNR1 (0.46) CNR1PTGER4MCL1HDAC3HDAC1
SCHEMBL13671617 0.87 CNR1 (0.50) CNR1PTGER4MCL1PARP1CYP2D6
SCHEMBL4245639 0.87 CA12 (0.45) CNR1PTGER4MCL1HDAC3HDAC1
SCHEMBL4252022 0.83 HDAC3 (0.42) CNR1MCL1HDAC3HDAC1HDAC2
SCHEMBL4253143 0.82 CNR1 (0.48) CNR1PTGER4MCL1HDAC3HDAC1
SCHEMBL31647277 0.81 PTGER4 (0.60) CNR1PTGER4PARP1CYP2D6ELANE
SCHEMBL3775553 0.81 PTGER4 (0.60) CNR1PTGER4PARP1CYP2D6ELANE
SCHEMBL24273625 0.80 PTGER4 (0.62) CNR1PTGER4PARP1CFDCYP2D6
SCHEMBL6114223 0.77 PTGER4 (0.57) CNR1PTGER4HDAC3HDAC1HDAC2
SCHEMBL8591344 0.77 PTGER4 (0.52) CNR1PTGER4HDAC3HDAC1HDAC2

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