SCHEMBL4778639

SCHEMBL4778639

CN(C)CCC(N)c1c2ccccc2nc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ APOBEC3A P31941 1/20 0.48
▸ RAD52 P43351 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ HTR2A P28223 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ NCF1 P14598 2/20 0.43
▸ NUDT1 P36639 1/20 0.42
▸ TOP2A P11388 4/20 0.41
▸ CFD P00746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADORA3 P0DMS8 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
SCHEMBL4777093 0.84 CACNA2D1 (0.52) TOP2A
SCHEMBL27985054 0.78 KDM4E (0.44) RAB9ANPC1POLBRAD52KMT2A
SCHEMBL13739508 0.76 CACNA2D1 (0.41) SLC2A1RAB9ANPC1POLBAPOBEC3A
Hydrochloric Acid SCHEMBL3299437 0.74 RAB9A (0.50) RAB9APOLBRAD52KMT2ANUDT1
SCHEMBL4506098 0.73 HTR2A (0.67) HTR2AHRH1CFDKDM4ECHRM2
SCHEMBL2680525 0.73 HTR2A (0.67) HTR2AHRH1CFDKDM4ECHRM2
SCHEMBL14810439 0.71 KDM4E (0.51) RAB9ANPC1POLBKMT2AHTR2A
SCHEMBL6266749 0.71 KDM4E (0.53) SLC2A1RAB9ANPC1POLBAPOBEC3A
SCHEMBL4778635 0.71 KDM4E (0.40) SLC2A1RAB9ANPC1POLBAPOBEC3A
SCHEMBL28241436 0.68 KDM4E (0.55) RAB9APOLBRAD52KMT2AKDM4E

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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