SCHEMBL20754299

SCHEMBL20754299

O=S(=O)(Oc1cccc2c1oc1cccc(Cl)c12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.37
▸ CNR2 P34972 2/20 0.34
▸ MAOA P21397 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CA1 P00915 4/20 0.31
▸ CA2 P00918 4/20 0.31

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
SCHEMBL24601973 0.87 AHR (0.41) AHRCNR2MAOAKDM4ENPC1
SCHEMBL20982346 0.85 CA1 (0.33) CNR2CA1CA2
SCHEMBL20754152 0.82 AHR (0.39) AHRCNR2MAOACA1CA2
SCHEMBL20754181 0.82 AHR (0.39) AHRCNR2MAOAKDM4ENPC1
SCHEMBL9576647 0.81 MAOA (0.52) MAOAKDM4ENPC1ALDH1A1LMNA
SCHEMBL21455970 0.81 AHR (0.33) AHRCNR2MAOAKDM4ENPC1
SCHEMBL25185349 0.81 CDC14B (0.33) AHRCNR2MAOACA1CA2
SCHEMBL9562242 0.77 CA1 (0.38) LMNACA1CA2
SCHEMBL21331558 0.77 AHR (0.44) AHRCNR2MAOAKDM4ENPC1
SCHEMBL23913394 0.76 AHR (0.40) AHRCNR2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190058131-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-02-21 — — US disclosed
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