SCHEMBL4777093

SCHEMBL4777093

CCN(CC)CCC(N)c1c2ccccc2nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 12/20 0.52
▸ TOP2A P11388 1/20 0.42
▸ CCR4 P51679 1/20 0.42

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
SCHEMBL4778639 0.84 SLC2A1 (0.48) TOP2A
SCHEMBL27985054 0.79 KDM4E (0.44) CACNA2D1
SCHEMBL25532696 0.75 SIGMAR1 (0.59) CACNA2D1
SCHEMBL9796522 0.75 SIGMAR1 (0.59) CACNA2D1
Hydrochloric Acid SCHEMBL3299437 0.72 RAB9A (0.50) —
SCHEMBL13739508 0.71 CACNA2D1 (0.41) CACNA2D1
SCHEMBL3887726 0.71 CACNA2D1 (0.41) CACNA2D1
SCHEMBL4777085 0.70 CACNA2D1 (0.40) CACNA2D1
SCHEMBL28241436 0.70 KDM4E (0.55) CACNA2D1
SCHEMBL6266749 0.69 KDM4E (0.53) CACNA2D1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008010984-A9 ACRIDINE ACTIVATION OF P53 AND USES THEREOF UNIV PENNSYLVANIA (US) 2008-03-06 — — WO claimed
WO-2008010984-A2 ACRIDINE ACTIVATION OF P53 AND USES THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-01-24 — — WO claimed
WO-2008010984-A9 ACRIDINE ACTIVATION OF P53 AND USES THEREOF UNIV PENNSYLVANIA (US) 2008-03-06 — — WO disclosed
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