SCHEMBL11022686

SCHEMBL11022686

CCOC(OCC)(P=O)c1ccc(-c2ncccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.42
ADRB2 P07550 2/20 0.39
TRPV1 Q8NER1 3/20 0.33
DYRK1A Q13627 1/20 0.33
AOC3 Q16853 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30
CYP2A6 P11509 1/20 0.30
MAOB P27338 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
SCHEMBL11019919 0.88 CLK4 (0.30) CLK4
SCHEMBL11024100 0.82 KIF11 (0.38) MAPT
SCHEMBL11026542 0.81 NPC1 (0.35) GAAMAPTKMT2A
SCHEMBL11020353 0.80 LMNA (0.36) MAPTPOLBKMT2A
SCHEMBL11022655 0.79 EDNRB (0.39) GAAPOLB
SCHEMBL28205756 0.78 KCNN4 (0.36) POLBKMT2AHDAC6
SCHEMBL11197778 0.77 CYP2A6 (0.41) GAAMAPTKMT2AHDAC6CYP2A6
SCHEMBL2574861 0.75 ESR1 (0.44)
SCHEMBL28149485 0.75 LMNA (0.33) GAAMAPTPOLBKMT2A
SCHEMBL4689119 0.74 MEN1 (0.46) MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0031796-B1 4-HETEROCYCLYL-4'-VINYL-STILBENES CIBA-GEIGY AG (CH) 1985-01-23 EP disclosed
EP-0020298-B1 BENZOXAZOLYL STILBENES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS OPTICAL BRIGHTENERS FOR ORGANIC MATERIALS CIBA-GEIGY AG (CH) 1983-06-22 EP disclosed
US-4297234-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1981-10-27 US disclosed
EP-0031796-A2 4-Heterocyclyl-4'-vinyl-stilbenes CIBA-GEIGY AG (CH) 1981-07-08 EP disclosed
EP-0020298-A1 Benzoxazolyl stilbenes, process for their preparation and their use as optical brighteners for organic materials CIBA-GEIGY AG (CH) 1980-12-10 EP disclosed