SCHEMBL8411680

SCHEMBL8411680

Cc1ccc2cc3ccccc3nc2c1C(=O)NCCC[CH]CCCNC(=O)c1c(C)ccc2cc3ccccc3nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PKMYT1 Q99640 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
ATM Q13315 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
BRD4 O60885 1/20 0.38
AOX1 Q06278 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
SCHEMBL8411682 0.91 HDAC1 (0.56) HDAC1HDAC6PKMYT1SMN1; SMN2MAPT
SCHEMBL7565002 0.86 OPRM1 (0.52) HDAC1HDAC6PKMYT1SMN1; SMN2MAPT
SCHEMBL8411706 0.75 HDAC1 (0.49) HDAC1HDAC6MAPTALDH1A1L3MBTL1
SCHEMBL7572552 0.75 MGAM (0.45) HDAC1HDAC6PKMYT1SMN1; SMN2MAPT
SCHEMBL8414466 0.74 AOX1 (0.57) HDAC1HDAC6SMN1; SMN2MAPTALDH1A1
SCHEMBL27415625 0.73 PKMYT1 (0.52) PKMYT1SMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL8411214 0.72 RAD52 (0.70) HDAC1HDAC6SMN1; SMN2MAPTALDH1A1
SCHEMBL7564998 0.72 PKMYT1 (0.40) PKMYT1SMN1; SMN2MAPTALDH1A1ATM
SCHEMBL12086508 0.71 HDAC1 (0.44) HDAC1HDAC6SMN1; SMN2MAPTALDH1A1
SCHEMBL2449556 0.70 KDM4E (0.57) SMN1; SMN2MAPTALDH1A1NPC1RAB9A

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