SCHEMBL9510131

SCHEMBL9510131

CCOC(=O)Oc1cn2c3c(c(F)c(F)cc3c1=O)OC(c1ccccc1)=C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.36
STAT3 P40763 2/20 0.36
TYMS P04818 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ADRB2 P07550 1/20 0.32
PKM P14618 1/20 0.32
CHRM1 P11229 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PIM1 P11309 1/20 0.31
IRAK1 P51617 1/20 0.31

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
SCHEMBL9560451 0.93 STAT3 (0.36) TOP1STAT3TYMSCNR1CNR2
SCHEMBL9560596 0.91 KDM4E (0.38) TOP1STAT3TYMSCNR1CNR2
SCHEMBL9560110 0.90 SMN1; SMN2 (0.36) TOP1STAT3CNR1CNR2KMT2A
SCHEMBL9560529 0.89 ALDH1A1 (0.38) STAT3TYMSKMT2AMEN1MAPT
SCHEMBL9509563 0.87 TOP1 (0.40) TOP1STAT3KDM4ECHRM1HPGD
SCHEMBL10538537 0.87 STAT3 (0.47) TOP1STAT3KMT2AKDM4EADRB2
SCHEMBL9512987 0.86 STAT3 (0.39) TOP1STAT3TYMSCNR1CNR2
SCHEMBL9560141 0.85 STAT3 (0.39) TOP1STAT3TYMSCNR1CNR2
SCHEMBL9569159 0.84 STAT3 (0.41) TOP1STAT3TYMSCNR1CNR2
SCHEMBL9560567 0.83 STAT3 (0.37) TOP1STAT3TYMSCNR1CNR2

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-0563733-A1 Use of 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxacin-6-carboxylic acid- and esters for the manufacture of a medicament for the treatment of viral diseases BAYER AG (DE) 1993-10-06 EP claimed
EP-0563733-A1 Use of 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxacin-6-carboxylic acid- and esters for the manufacture of a medicament for the treatment of viral diseases BAYER AG (DE) 1993-10-06 EP disclosed