SCHEMBL8411531

SCHEMBL8411531

Cc1ccc(Cl)c2nc3cccc(C(=O)NCCC(N)CN)c3nc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.42
SMARCA2 P51531 1/20 0.42
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AOX1 Q06278 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PTGS2 P35354 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
PYGL P06737 1/20 0.35
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8411535 0.84 RAD52 (0.45) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL7566364 0.83 RAD52 (0.45) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL7566368 0.82 RAD52 (0.42) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL7566375 0.82 RAD52 (0.51) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL7568123 0.82 RAD52 (0.47) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL8415109 0.81 RAD52 (0.47) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL7564150 0.80 RAD52 (0.51) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL7564995 0.78 TAS1R3 (0.41) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL7571919 0.76 RAD52 (0.50) RAD52SMARCA2MAPTCYP1A2CYP2C9
SCHEMBL7571923 0.75 RAD52 (0.56) RAD52SMARCA2MAPTCYP1A2CYP2C9

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