SCHEMBL7270772

SCHEMBL7270772

CN1CC(Cl)Oc2c(C(=O)O)cc(Cl)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
DRD2 P14416 4/20 0.36
MYC P01106 2/20 0.35
NR4A1 P22736 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
HRH1 P35367 1/20 0.34
HTR3A P46098 1/20 0.34
PDE4D Q08499 1/20 0.34
KCNH2 Q12809 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DYRK1A Q13627 1/20 0.33
NOTUM Q6P988 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
SCHEMBL7278134 0.86 AKR1B1 (0.38) CYP3A4DRD2MYCNR4A1AKR1C4
SCHEMBL7290561 0.76 DYRK1A (0.37) CYP3A4MYCNR4A1AKR1C4AKR1C3
SCHEMBL7274861 0.74 DRD2 (0.51) CYP3A4DRD2MYCNR4A1AKR1C4
Hydrochloric Acid SCHEMBL7270776 0.73 DRD2 (0.50) CYP3A4DRD2MYCNR4A1AKR1C4
SCHEMBL7276148 0.72 CYP3A4 (0.37) CYP3A4DRD2MYCNR4A1AKR1C4
SCHEMBL7282398 0.72 HTR2A (0.36) CYP3A4MYCNR4A1AKR1C4AKR1C3
SCHEMBL9485659 0.70 MAPT (0.41) MYCNR4A1KDM4ENOTUM
SCHEMBL7287801 0.69 HSD17B10 (0.46) MYCNR4A1AKR1C4AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL7291096 0.69 HSD17B10 (0.46) MYCNR4A1AKR1C4AKR1C3AKR1C2
SCHEMBL18334430 0.68 MAPT (0.37) HSD17B10

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-0407137-B1 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL (JP) 1996-05-01 EP disclosed
EP-0407137-A2 Benzazine compounds and pharmaceutical uses thereof YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-01-09 EP disclosed