SCHEMBL9668477

SCHEMBL9668477

C(COCC=Nc1ccncc1)=Nc1ccncc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.35
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL8494111 0.77 ALDH1A1 (0.38) TSHRLMNAMAPT
Hydrochloric Acid SCHEMBL8488644 0.76 ALDH1A1 (0.36) TSHRLMNAMAPT
SCHEMBL8989195 0.74 HTR3E (0.41) NOS3NOS1NOS2LMNAMAPT
Hydrochloric Acid SCHEMBL9668702 0.72 HPGD (0.37) NOS3NOS1NOS2LMNAMAPT
SCHEMBL1154462 0.69
SCHEMBL27170376 0.65 ALDH1A1 (0.43) PLGTSHRMAPT
SCHEMBL19242050 0.65 ALDH1A1 (0.48) PLGTSHRLMNAMAPT
SCHEMBL19241690 0.65 ALDH1A1 (0.43) PLGTSHRMAPT
SCHEMBL15150060 0.64 PLG (0.38) PLGTSHRLMNAMAPT
SCHEMBL7089009 0.64 PLG (0.38) PLGTSHRLMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0363061-B1 IMIDAZOLINE DERIVATIVE AND PREPARATION THEREOF TANABE SEIYAKU CO., LTD. (JP) 1992-07-22 EP disclosed
US-5051441-A Immunomodulators and cardiovascular disorders TANABE SEIYAKU CO., LTD. (JP) 1991-09-24 US disclosed
EP-0363061-A1 Imidazoline derivative and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1990-04-11 EP disclosed