SCHEMBL11376992

SCHEMBL11376992

CCOC(=O)c1nc2c(Cl)cc([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CHEK1 O14757 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MET P08581 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
PRKX P51817 1/20 0.43
NEK2 P51955 1/20 0.43
LIMK1 P53667 1/20 0.43
CDK5 Q00535 1/20 0.43
ACVR1 Q04771 1/20 0.43
TYRO3 Q06418 1/20 0.43
PRKAA1 Q13131 1/20 0.43
DYRK1A Q13627 1/20 0.43
IKBKE Q14164 1/20 0.43

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
SCHEMBL9703414 0.83 HTT (0.49) GABRA2GABRB2
SCHEMBL11366574 0.82 GLP1R (0.42) GABRA2GABRB2CHEK1DAPK3PRKD3
SCHEMBL11450932 0.80 CHEK1 (0.48) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL9703937 0.80 KCNJ1 (0.54) NPC1MAPTALDH1A1LMNA
SCHEMBL11371536 0.77 MAPT (0.48) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL11364737 0.77 CHEK1 (0.46) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL2779501 0.76 MAP3K5 (0.46) CHEK1MAPTALDH1A1LMNAPDE4A
SCHEMBL11372106 0.75 ALDH1A1 (0.47) GABRA2CHEK1DAPK3PRKD3MET
SCHEMBL9704323 0.74 GAA (0.53) CHEK1DAPK3PRKD3METPDGFRA
SCHEMBL9704126 0.74 POLB (0.45) NPC1MAPTALDH1A1LMNA

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
US-4264600-A VIRICIDES ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
EP-0010426-A1 Pharmaceutical composition containing 3,4-dihydro-3-oxo-2-quinoxalines, novel such quinoxalines and processes for the production thereof ELI LILLY AND COMPANY (US) 1980-04-30 EP disclosed