SCHEMBL7566451

SCHEMBL7566451

CCC(NC(=O)c1ccc2nc3ccccc3nc2c1)C(N)C(CC)NC(=O)c1ccc2nc3ccccc3nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 3/20 0.50
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
MAPT P10636 6/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
PABPC1 P11940 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7566322 0.89 CCR1 (0.42) ALDH1A1LMNATDP1POLBKDM4E
SCHEMBL8413588 0.80 ALDH1A1 (0.55) ALDH1A1HPGDLMNATDP1POLB
SCHEMBL7566425 0.78 MAPT (0.51) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL7568879 0.77 MAPT (0.45) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL7566548 0.77 MAPT (0.45) ALDH1A1MEN1KMT2ARAB9AKDM4E
SCHEMBL7567203 0.76 KDM4E (0.40) ALDH1A1HPGDLMNATDP1POLB
SCHEMBL7568097 0.76 TP53 (0.38) ALDH1A1HPGDLMNATDP1POLB
SCHEMBL7568244 0.76 MAPT (0.41) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL7565816 0.74 KMT2A (0.48) ALDH1A1HPGDLMNATDP1POLB
SCHEMBL7568267 0.74 KMT2A (0.48) ALDH1A1HPGDLMNATDP1POLB

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