SCHEMBL7564995

SCHEMBL7564995

CCC(NC(=O)c1cccc2nc3c(Cl)ccc(C)c3nc12)C(N)C(CC)NC(=O)c1cccc2nc3c(Cl)ccc(C)c3nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
TAS1R2 Q8TE23 1/20 0.41
MAPT P10636 6/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
RAD52 P43351 4/20 0.35
SMARCA2 P51531 1/20 0.35
HTT P42858 3/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
THRB P10828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PYGL P06737 1/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL7566996 0.89 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7567031 0.88 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7565908 0.88 MAPT (0.49) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7566738 0.87 MAPT (0.48) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7564155 0.84 RAD52 (0.42) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7565063 0.83 MAPT (0.41) TAS1R3TAS1R1MAPTCYP1A2CYP2C9
SCHEMBL7566425 0.83 MAPT (0.51) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7568244 0.80 MAPT (0.41) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7567101 0.79 RAD52 (0.55) TAS1R3TAS1R1TAS1R2MAPTCYP1A2
SCHEMBL7571929 0.79 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2KMT2ACTSS

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