SCHEMBL8411682

SCHEMBL8411682

Cc1ccc2cc3ccccc3nc2c1C(=O)NCCCCCCCNC(=O)c1c(C)ccc2cc3ccccc3nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
BRD4 O60885 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
HPGD P15428 2/20 0.42
PKMYT1 Q99640 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 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
SCHEMBL8411680 0.91 HDAC1 (0.47) HDAC1HDAC6BRD4ALDH1A1HPGD
SCHEMBL7565002 0.91 OPRM1 (0.52) HDAC1HDAC6ALDH1A1HPGDPKMYT1
SCHEMBL7572552 0.78 MGAM (0.45) HDAC1HDAC6ALDH1A1HPGDPKMYT1
SCHEMBL27415625 0.77 PKMYT1 (0.52) ALDH1A1HPGDPKMYT1SMN1; SMN2MAPT
SCHEMBL7564998 0.75 PKMYT1 (0.40) ALDH1A1HPGDPKMYT1SMN1; SMN2MAPT
SCHEMBL12086508 0.74 HDAC1 (0.44) HDAC1HDAC6ALDH1A1HPGDSMN1; SMN2
SCHEMBL2449556 0.73 KDM4E (0.57) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
Hydrochloric Acid SCHEMBL2442660 0.72 KDM4E (0.56) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL8411708 0.72 HDAC1 (0.60) HDAC1HDAC6ALDH1A1HDAC3HDAC4
SCHEMBL7567057 0.72 HDAC1 (0.71) HDAC1HDAC6ALDH1A1SMN1; SMN2HTT

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
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed