SCHEMBL9079937

SCHEMBL9079937

Cc1ccc(Oc2cc(-c3ccccc3C#N)oc2-c2ccccc2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.44
▸ GAA P10253 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ DHODH Q02127 1/20 0.37
▸ BCL2 P10415 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL9590630 0.74 GAA (0.74) ARGAAPOLBCYP1A2DHODH
SCHEMBL29681639 0.74 GAA (0.74) ARGAAPOLBCYP1A2DHODH
SCHEMBL7732923 0.71 AR (0.51) ARALDH1A1
SCHEMBL13074158 0.70 AR (0.62) ARGAAPOLBCYP1A2ALDH1A1
SCHEMBL8481860 0.69 MAOB (0.62) POLBKDM4E
SCHEMBL22199026 0.68 AR (0.63) ARGAAPOLBCYP1A2
SCHEMBL7624975 0.67 GRM2 (0.49) ARGAAKDM4EALDH1A1HPGD
SCHEMBL27145384 0.67 GAA (0.54) ARGAAPOLBCYP1A2
SCHEMBL16969031 0.66 AR (0.51) ARGAAPOLBCYP1A2MEN1
SCHEMBL9308252 0.66 TSHR (0.37) GAAPOLBCYP1A2KDM4EALDH1A1

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
WO-1996040997-A1 METHOD OF FLUORESCENT DETECTION OF NUCLEIC ACIDS AND CYTOSKELETON ELEMENTS USING BIS-DICATIONIC ARYL FURANS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1996-12-19 — — WO disclosed
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