SCHEMBL7568097

SCHEMBL7568097

CCC(NC(=O)c1cc(Cl)cc2nc3ccccc3nc12)C(N)C(CC)NC(=O)c1cc(Cl)cc2nc3ccccc3nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 8/20 0.36
TACR3 P29371 4/20 0.36
HTT P42858 4/20 0.36
KDM4E B2RXH2 4/20 0.36
TACR2 P21452 2/20 0.36
MEN1 O00255 7/20 0.36
KMT2A Q03164 7/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 3/20 0.35
HPGD P15428 3/20 0.35

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
SCHEMBL7572037 0.87 ALDH1A1 (0.39) TP53RXFP1MAPTTACR3HTT
SCHEMBL7568244 0.86 MAPT (0.41) TP53RXFP1MAPTHTTKDM4E
SCHEMBL7566425 0.84 MAPT (0.51) MAPTTACR3HTTKDM4ETACR2
SCHEMBL8415118 0.83 RAD52 (0.40) TP53RXFP1MAPTTACR3HTT
SCHEMBL7566996 0.79 TAS1R3 (0.49) TP53RXFP1MAPTHTTKDM4E
SCHEMBL7567031 0.78 TAS1R3 (0.48) TP53RXFP1MAPTHTTKDM4E
SCHEMBL7568879 0.78 MAPT (0.45) MAPTTACR3HTTKDM4ETACR2
SCHEMBL7566548 0.78 MAPT (0.45) MAPTTACR3HTTKDM4ETACR2
SCHEMBL7565063 0.78 MAPT (0.41) MAPTTACR3HTTKDM4ETACR2
SCHEMBL7566165 0.77 TAS1R3 (0.39) TP53RXFP1MAPTTACR3KDM4E

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