SCHEMBL9987590

SCHEMBL9987590

O=S(=O)(Oc1[c]ccc2ccccc12)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 1/20 0.32
RECQL P46063 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 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
SCHEMBL9463756 0.79 SLC22A6 (0.39) CA1CA2CA9
SCHEMBL11409489 0.76 ERN1 (0.34) CA1CA2CA9
SCHEMBL3120583 0.75 ALDH1A1 (0.34)
SCHEMBL1056365 0.73 ALDH1A1 (0.46) CA1CA2CA9
SCHEMBL29937164 0.73 ALDH1A1 (0.46) CA1CA2CA9
SCHEMBL17289107 0.72 CA1 (0.34) CA1CA2CA9RECQL
Hydrogen Sulfide SCHEMBL27507715 0.72 ALDH1A1 (0.45) CA1CA2CA9
SCHEMBL7599032 0.71 DNMT1 (0.39) CA1CA2CA9
SCHEMBL29560409 0.71 MAPT (0.49) CA1CA2CA9ADORA2AADORA1
SCHEMBL30290794 0.71 CA1 (0.46) CA1CA2CA9ADORA2AADORA1

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-2483267-A1 EVAPORABLE ORGANICALLY SEMICONDUCTIVE MATERIAL AND USE THEREOF IN AN OPTOELECTRONIC COMPONENT Heliatek GmbH (DE) 2012-08-08 EP disclosed
WO-2011161262-A1 EVAPORABLE ORGANICALLY SEMICONDUCTIVE MATERIAL AND USE THEREOF IN AN OPTOELECTRONIC COMPONENT HELIATEK GMBH (DE) 2011-12-29 WO disclosed