SCHEMBL4777085

SCHEMBL4777085

CCN(CC)C(CCN)c1c2ccccc2nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 10/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ GLA P06280 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ NQO2 P16083 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ ADRA1A P35348 1/20 0.38

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
SCHEMBL3887726 0.85 CACNA2D1 (0.41) CACNA2D1KDM4EALDH1A1HPGDGAA
SCHEMBL4778635 0.84 KDM4E (0.40) CACNA2D1KDM4EALDH1A1HPGDGAA
SCHEMBL3888568 0.76 RXFP1 (0.37) CACNA2D1KDM4EALDH1A1HPGDGAA
SCHEMBL4777093 0.70 CACNA2D1 (0.52) CACNA2D1
SCHEMBL28241436 0.70 KDM4E (0.55) CACNA2D1KDM4EALDH1A1HPGDGAA
SCHEMBL6266749 0.69 KDM4E (0.53) CACNA2D1KDM4EALDH1A1HPGDGAA
SCHEMBL29099813 0.69 GPR3 (0.42) CACNA2D1KDM4EALDH1A1HPGDGAA
SCHEMBL476972 0.67 KDM4E (0.52) CACNA2D1KDM4EALDH1A1HPGDGAA
SCHEMBL28232527 0.67 KDM4E (0.52) CACNA2D1KDM4EALDH1A1HPGDGAA
SCHEMBL12386870 0.66 KDM4E (0.50) CACNA2D1KDM4EALDH1A1HPGDGAA

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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