SCHEMBL19723948

SCHEMBL19723948

CCn1nccc1C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.33
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
CHEK1 O14757 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP11B2 P19099 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL19723902 0.98 PDE2A (0.36) PDE2AKDM4EHTTALDH1A1DRD2
SCHEMBL25231127 0.92 KDM4E (0.41) PDE2AKDM4EHTTALDH1A1DRD2
SCHEMBL17001808 0.84 GAA (0.41) PDE2AKDM4EHTTALDH1A1DRD2
SCHEMBL7606761 0.84 PLAT (0.41) ALDH1A1MEN1KMT2AMAPT
SCHEMBL15464942 0.78 ALDH1A1 (0.32) PDE2AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15465168 0.78 ALDH1A1 (0.32) PDE2AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20485938 0.78 AKT1 (0.36) PDE2AALDH1A1MEN1KMT2ACCNK
SCHEMBL18192145 0.78 ALDH1A1 (0.32) PDE2AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20485972 0.77 AKT1 (0.35) PDE2AALDH1A1MEN1KMT2ACCNK
SCHEMBL16600472 0.76 CREBBP (0.45) SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2974730-B1 DRUG FOR RESPIRATORY DISEASES DAIICHI SANKYO CO LTD (JP) 2018-01-31 EP disclosed
EP-3144300-B1 METHODS OF PRODUCING 4-CYCLOALKYLOXYBENZENESULFONAMIDES DAIICHI SANKYO CO LTD (JP) 2017-12-20 EP disclosed