SCHEMBL7564101

SCHEMBL7564101

O=C(NCCCN1CCN(CCCNC(=O)c2cccc3cc4ccccc4nc23)CC1)c1cccc2cc3ccccc3nc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
POLR1A O95602 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
AOX1 Q06278 1/20 0.51
SLC6A4 P31645 7/20 0.51
DRD3 P35462 6/20 0.51
HTR2A P28223 5/20 0.51
HTR2C P28335 5/20 0.51
HTR1A P08908 4/20 0.51

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
SCHEMBL7566843 0.84 HDAC1 (0.55) HDAC1HDAC6POLR1AKDM4EMEN1
SCHEMBL7567057 0.84 HDAC1 (0.71) HDAC1HDAC6KDM4EMEN1ALDH1A1
SCHEMBL8415116 0.83 HDAC1 (0.69) HDAC1HDAC6KDM4EMEN1ALDH1A1
SCHEMBL7568845 0.81 HDAC1 (0.67) HDAC1HDAC6POLR1AKDM4EMEN1
SCHEMBL7566347 0.81 HDAC1 (0.67) HDAC1HDAC6KDM4EMEN1ALDH1A1
SCHEMBL7573624 0.80 HDAC1 (0.65) HDAC1HDAC6POLR1AKDM4EMEN1
SCHEMBL7564097 0.80 HDAC1 (0.52) HDAC1HDAC6POLR1AKDM4EMEN1
Hydrochloric Acid SCHEMBL7561189 0.79 HDAC1 (0.64) HDAC1HDAC6KDM4EMEN1ALDH1A1
SCHEMBL10722459 0.79 SLC6A4 (0.73) KDM4EALDH1A1HPGDHSD17B10SLC6A4
SCHEMBL14439636 0.79 HDAC1 (0.64) HDAC1HDAC6POLR1AKDM4EMEN1

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
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP claimed