SCHEMBL8770432

SCHEMBL8770432

C1=CC(c2ccncn2)=CCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.33
CYP2D6 P10635 1/20 0.33
GSK3B P49841 1/20 0.32
CAMKK2 Q96RR4 1/20 0.32
CDC7 O00311 1/20 0.31
MAPT P10636 1/20 0.31
MAPK13 O15264 1/20 0.30
RAF1 P04049 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL21387543 0.86 CYP2D6 (0.42) CYP2D6GSK3BCAMKK2MAPTMAPK13
SCHEMBL8795812 0.76 KDM4E (0.48) HSP90AA1MAPT
SCHEMBL22665187 0.74
SCHEMBL16407653 0.72 MAPT (0.42) CYP2D6MAPTMAPK14
SCHEMBL20982398 0.72
SCHEMBL30150698 0.70
SCHEMBL2814353 0.70 HSP90AA1 (0.52) HSP90AA1CYP2D6GSK3BCDC7MAPT
SCHEMBL30595872 0.70 HSP90AA1 (0.52) HSP90AA1CYP2D6GSK3BCDC7MAPT
SCHEMBL31452799 0.69 P2RX7 (0.34) CYP2D6GSK3BCAMKK2CDC7
SCHEMBL21975337 0.69 ASIC3 (0.46) MAPT

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-0407554-B1 METALLIC OXIDE-OXIRANE POLYMERS AND PREPOLYMERS KEEHAN DONALD J (US) 1997-09-17 EP disclosed
US-5169912-A Hydrolyzable oxygen bonding with epoxide; silica, titania; high performance coatings, adhesives KEEHAN DONALD J (US) 1992-12-08 US disclosed
US-5026816-A Reaction product of diglycidyl ether of (bisphenol a or resorcinol) with metallic oxide in presence of imidazole catalyst KEEHAN DONALD J (US) 1991-06-25 US disclosed
US-4880892-A PHOSPHONIUM OR PHOSPHORANE CATALYST, PROTECTIVE COATINGS CIBA-GEIGY CORPORATION (US) 1989-11-14 US disclosed