SCHEMBL27921188

SCHEMBL27921188

Cc1nccc2c3ccc(OCc4ccccc4)cc3n(CC(C)C)c12

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 15/20 0.78
▸ MAOA P21397 2/20 0.51
▸ PLK1 P53350 2/20 0.50
▸ PLK3 Q9H4B4 2/20 0.50
▸ PLK2 Q9NYY3 2/20 0.50
▸ ACHE P22303 2/20 0.50
▸ HASPIN Q8TF76 3/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49

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
SCHEMBL27939724 0.88 DYRK1A (0.83) DYRK1AMAOAPLK1PLK3PLK2
SCHEMBL12070349 0.88 DYRK1A (1.00) DYRK1AMAOAPLK1PLK3PLK2
Benzene SCHEMBL27921298 0.86 DYRK1A (0.58) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL12071332 0.86 DYRK1A (0.80) DYRK1AMAOAPLK1PLK3PLK2
SCHEMBL27939721 0.85 DYRK1A (0.59) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL27939758 0.84 DYRK1A (0.77) DYRK1AMAOAPLK1PLK3PLK2
SCHEMBL27921179 0.83 DYRK1A (0.65) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL27939720 0.79 DYRK1A (0.50) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL27992156 0.78 DYRK1A (0.45) DYRK1AMAOAACHEHASPINHTR2A
SCHEMBL2215202 0.77 DYRK1A (0.81) DYRK1AMAOAACHEHASPINHTR2A

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
CN-101429198-B Banisterine derivant and uses thereof XINJIANG HUASHIDAN MEDICAMENTS RES CO LTD 2013-10-23 — — CN disclosed
Send feedback