SCHEMBL6434982

SCHEMBL6434982

Cc1nccc2[nH]c(=O)c(C(N)=NO)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.50
PDE3A Q14432 4/20 0.50
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GAA P10253 1/20 0.48
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.44
DAO P14920 3/20 0.35
NTRK1 P04629 4/20 0.33
PIM1 P11309 4/20 0.33
CHEK1 O14757 3/20 0.33
CDK2 P24941 3/20 0.33
CSNK2A1 P68400 3/20 0.33
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL10811949 0.85 KDM4E (0.56) PDE3BPDE3AKDM4EALDH1A1TSHR
SCHEMBL10810922 0.80 KDM4E (0.57) PDE3BPDE3AKDM4EALDH1A1TSHR
SCHEMBL10810643 0.78 KDM4E (0.61) PDE3BPDE3AKDM4EALDH1A1TSHR
SCHEMBL6437384 0.76 JAK2 (0.46) PDE3BPDE3AKDM4EALDH1A1PARP1
SCHEMBL10809624 0.75 PDE3B (0.60) PDE3BPDE3AKDM4EALDH1A1TSHR
SCHEMBL10812608 0.75 PDE3B (0.60) PDE3BPDE3AKDM4EALDH1A1TSHR
SCHEMBL27451450 0.73 PDE3B (0.40) PDE3BPDE3AKDM4EALDH1A1TSHR
SCHEMBL11230846 0.70 PDE3B (0.59) PDE3BPDE3AKDM4ETSHRMAPT
SCHEMBL6432848 0.69 PDE3A (0.55) PDE3BPDE3AKDM4EALDH1A1TSHR
Medorinone SCHEMBL121782 0.68 PDE3B (1.00) PDE3BPDE3AKDM4EALDH1A1TSHR

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
EP-1010699-B1 5-SUBSTITUTED-3-OXADIAZOLYL-1,6-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES DAINIPPON PHARMACEUTICAL CO (JP) 2005-06-15 EP disclosed
US-6277993-B1 USEFUL AS A BENZODIAZEPINE INVERSE AGONIST, FOR EXAMPLE, AS PSYCHOANALEPTIC DRUG OR DRUG FOR TREATMENT OF DYSMNESIA IN SENILE DEMENTIA OR ALZHEIMER'S DISEASE DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6172079-B1 BENZODIAZEPINE INVERSE AGONISTS; ALZHEIMER*S DISEASE; ANXIOLYTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS, ANTIEPILEPTIC AGENTS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-01-09 US disclosed
EP-1010699-A1 5-SUBSTITUTED-3-OXADIAZOLYL-1,6-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2000-06-21 EP disclosed