SCHEMBL7566322

SCHEMBL7566322

CCC(NC(=O)c1ccc2nc3ccccc3cc2c1)C(N)C(CC)NC(=O)c1ccc2nc3ccccc3cc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.42
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PLK1 P53350 1/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
PIN1 Q13526 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL7566451 0.89 ALDH1A1 (0.50) TAS1R3TAS1R1ALDH1A1GAAMAPT
SCHEMBL7564724 0.83 TAS1R3 (0.44) TAS1R3TAS1R1ALDH1A1PLK1LMNA
SCHEMBL7566344 0.80 HDAC1 (0.48) TAS1R3TAS1R1ALDH1A1GAAMAPT
SCHEMBL7564998 0.77 PKMYT1 (0.40) TAS1R3TAS1R1ALDH1A1GAAMAPT
SCHEMBL7567052 0.77 HDAC1 (0.39) TAS1R3TAS1R1ALDH1A1GAAMAPT
SCHEMBL7572037 0.76 ALDH1A1 (0.39) TAS1R3TAS1R1ALDH1A1GAAMAPT
SCHEMBL7565766 0.74 AOX1 (0.46) TAS1R3TAS1R1ALDH1A1MAPTKDM4E
SCHEMBL7567267 0.74 RAD52 (0.44) TAS1R3TAS1R1ALDH1A1GAAMAPT
SCHEMBL7570917 0.74 AOX1 (0.44) ALDH1A1SMN1; SMN2HDAC1
Acridine SCHEMBL9614414 0.73 ALDH1A1 (0.58) ALDH1A1GAAMAPTKDM4EPOLB

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 3 patents. 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
EP-0934278-B1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LTD (GB) 2002-09-04 EP disclosed
US-6114332-A BACTERICIDES XENOVA LIMITED (GB) 2000-09-05 US disclosed