SCHEMBL3807013

SCHEMBL3807013

C1=COc2ccccc2C1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ LMNA P02545 2/20 0.34
▸ CRHBP P24387 2/20 0.34
▸ CRHR2 Q13324 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ OXTR P30559 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL7197365 0.98 MAOA (0.41) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL29434883 0.98 MAOA (0.41) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL1420110 0.98 MAOA (0.41) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL9209 0.98 MAOA (0.41) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL2515201 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL323467 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL8016373 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL4618389 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL4046809 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2
SCHEMBL939558 0.95 MAOA (0.39) MAOAMAOBLMNACRHBPCRHR2

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
WO-2019155389-A1 AN AQUEOUS MUCOADHESIVE AND BIOADHESIVE COMPOSITION FOR THE TREATMENT TARGET ONCOLOGY INC. (US) 2019-08-15 — — WO claimed
WO-2010147742-A2 USE OF NITRITE SALTS IN TREATING TISSUE DAMAGE THERAVASC INC. (US) 2010-12-23 — — WO disclosed
EP-1931760-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS The University of Alabama (US) 2008-06-18 — — EP disclosed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 — — WO disclosed
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