SCHEMBL6437384

SCHEMBL6437384

COc1cccc(-c2nccc3[nH]c(=O)c(C(N)=NO)cc23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.46
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PARP1 P09874 1/20 0.41
BCHE P06276 1/20 0.41
SERPINE1 P05121 1/20 0.41
CDC7 O00311 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL6434982 0.76 PDE3B (0.50) PDE3BPDE3AKDM4EALDH1A1PARP1
SCHEMBL14605084 0.73 SMN1; SMN2 (0.53) JAK2PDE3BPDE3AKDM4EALDH1A1
SCHEMBL4887297 0.71 PIK3CD (0.52) PDE3BPDE3AALDH1A1BCHECLK2
Resequinil SCHEMBL677466 0.71 PIK3CD (0.57) PDE3BPDE3AKDM4EALDH1A1CLK2
Resequinil SCHEMBL29375531 0.71 PIK3CD (0.57) PDE3BPDE3AKDM4EALDH1A1CLK2
SCHEMBL678532 0.71 PIK3CD (0.55) KDM4EALDH1A1
SCHEMBL6174210 0.67 JAK2 (0.56) JAK2KDM4EPARP1CDC7DYRK1A
SCHEMBL11632465 0.66 KDM4E (0.71) JAK2KDM4EALDH1A1PARP1CDC7
SCHEMBL29808138 0.65 ADORA2A (0.55) KDM4EALDH1A1DYRK1A
SCHEMBL1038650 0.65 ADORA2A (0.55) KDM4EALDH1A1DYRK1A

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