SCHEMBL20053046

SCHEMBL20053046

Cc1cc(-c2ccc(N(C)c3ccc(C(C)(C)C)cc3)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
KIF11 P52732 3/20 0.47
PSEN1 P49768 7/20 0.40
PSEN2 P49810 7/20 0.40
APH1B Q8WW43 7/20 0.40
NCSTN Q92542 7/20 0.40
APH1A Q96BI3 7/20 0.40
PSENEN Q9NZ42 7/20 0.40
CYP2D6 P10635 5/20 0.40
MAP4K4 O95819 1/20 0.38
PORCN Q9H237 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
PDK2 Q15119 1/20 0.36
CYP3A4 P08684 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
SCHEMBL17517227 0.89 DYRK1A (0.49) DYRK1AKIF11PSEN1PSEN2APH1B
SCHEMBL1623988 0.89 KIF11 (0.59) DYRK1AKIF11PSEN1PSEN2APH1B
SCHEMBL17517228 0.81 DYRK1A (0.40) DYRK1AKIF11PSEN1PSEN2APH1B
SCHEMBL24145271 0.80 KIF11 (0.52) KIF11
SCHEMBL20053089 0.78 KIF11 (0.47) KIF11
SCHEMBL17517231 0.78 DYRK1A (0.39) DYRK1AKIF11PSEN1PSEN2APH1B
SCHEMBL18674430 0.75 DYRK1A (0.49) DYRK1AKIF11PSEN1PSEN2APH1B
SCHEMBL22312907 0.74 DHODH (0.48) KIF11
SCHEMBL22182885 0.74 KIF11 (0.40) KIF11
SCHEMBL17053285 0.74 UHRF1 (0.39) DYRK1AKIF11

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-9947482-B2 Photoelectric conversion element, dye-sensitized solar cell, and metal complex dye used in same FUJIFILM CORPORATION (JP) 2018-04-17 US disclosed