SCHEMBL13874987

SCHEMBL13874987

COc1ccc2c3ccnc(C)c3n(Cn3c4cc(OC)ccc4c4ccnc(C)c43)c2c1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 16/20 0.82
▸ MAOA P21397 2/20 0.75
▸ ACHE P22303 1/20 0.75
▸ HASPIN Q8TF76 4/20 0.73
▸ HTR2A P28223 1/20 0.73
▸ HTR2C P28335 1/20 0.73

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
SCHEMBL20340616 0.92 DYRK1A (0.88) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL17517549 0.91 DYRK1A (0.69) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL668477 0.90 DYRK1A (1.00) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL28590131 0.89 DYRK1A (0.79) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL17517503 0.89 DYRK1A (0.88) DYRK1AHASPINHTR2AHTR2C
SCHEMBL13875060 0.89 HASPIN (0.88) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17502363 0.88 HASPIN (0.86) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17502361 0.88 HASPIN (0.86) DYRK1AHASPINHTR2AHTR2C
SCHEMBL3857445 0.88 HASPIN (0.86) DYRK1AHASPINHTR2AHTR2C
SCHEMBL17517505 0.88 HASPIN (0.86) DYRK1AHASPINHTR2AHTR2C

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
EP-2050747-A1 Dimers of harmol or of its derivatives and uses thereof BioAlliance Pharma (FR) 2009-04-22 — — EP disclosed
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