SCHEMBL4778635

SCHEMBL4778635

CN(C)C(CCN)c1c2ccccc2nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GLA P06280 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MAOA P21397 2/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL4777085 0.84 CACNA2D1 (0.40) KDM4EALDH1A1HPGDGLACASP1
SCHEMBL3716302 0.73 HRH1 (0.56) SLC6A2TDP1HRH1NISCH
SCHEMBL12473354 0.71 KDM1A (0.49) ALDH1A1HPGDNQO2OPRM1KCNH2
SCHEMBL4778639 0.71 SLC2A1 (0.48) KDM4EALDH1A1HPGDGLACASP1
SCHEMBL3887726 0.70 CACNA2D1 (0.41) KDM4EALDH1A1HPGDGLACASP1
SCHEMBL28241436 0.68 KDM4E (0.55) KDM4EALDH1A1HPGDGLACASP1
SCHEMBL6266749 0.67 KDM4E (0.53) KDM4EALDH1A1HPGDGLACASP1
Hydrochloric Acid SCHEMBL3299437 0.67 RAB9A (0.50) KDM4EALDH1A1HPGDGLACASP1
SCHEMBL17423904 0.67 KDM4E (0.50) KDM4EALDH1A1HPGDGLACASP1
SCHEMBL1102408 0.67 KDM4E (0.50) KDM4EALDH1A1HPGDGLACASP1

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 2 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 disclosed
WO-2008010984-A2 ACRIDINE ACTIVATION OF P53 AND USES THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-01-24 — — WO disclosed
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