SCHEMBL8411706

SCHEMBL8411706

O=C(NCCC[CH]CCCNC(=O)c1ccc2nc3ccccc3cc2c1)c1ccc2nc3ccccc3cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.49
HDAC6 Q9UBN7 8/20 0.49
HDAC3 O15379 8/20 0.49
HDAC4 P56524 6/20 0.49
HDAC2 Q92769 6/20 0.49
HDAC8 Q9BY41 6/20 0.49
HDAC9 Q9UKV0 6/20 0.49
HDAC7 Q8WUI4 5/20 0.49
HDAC10 Q969S8 5/20 0.49
HDAC11 Q96DB2 5/20 0.49
HDAC5 Q9UQL6 5/20 0.49
OPRM1 P35372 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL8411708 0.89 HDAC1 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL7564725 0.85 HDAC1 (0.49) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL7566327 0.84 TMEM97 (0.62) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL26112451 0.79 KDM4C (0.57) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL30572035 0.75 STAMBP (0.51) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL8411680 0.75 HDAC1 (0.47) HDAC1HDAC6OPRM1TMEM97SIGMAR1
SCHEMBL1193424 0.74 HDAC1 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC2
SCHEMBL7566454 0.73 TMEM97 (0.58) OPRM1TMEM97SIGMAR1KDM4EALDH1A1
SCHEMBL27739759 0.72 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL8414466 0.72 AOX1 (0.57) HDAC1HDAC6KDM4EALDH1A1CYP1A2

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