SCHEMBL7570872

SCHEMBL7570872

CNCCCNC(=O)c1cccc2nc3cccc(Cl)c3nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 4/20 0.51
HPGD P15428 1/20 0.48
SMARCA2 P51531 1/20 0.47
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BRD4 O60885 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL8009925 0.96 HPGD (0.49) RAD52HPGDSMARCA2KDM4ELMNA
SCHEMBL7567038 0.86 RAD52 (0.57) RAD52HPGDSMARCA2LMNASIGMAR1
SCHEMBL7573617 0.85 HDAC1 (0.49) RAD52HPGDKDM4ELMNAPOLB
SCHEMBL8415079 0.84 RAD52 (0.50) RAD52HPGDSMARCA2HDAC1HDAC6
SCHEMBL7573723 0.84 RAD52 (0.46) RAD52SMARCA2HDAC1HDAC6MAPT
SCHEMBL8414078 0.84 RAD52 (0.46) RAD52SMARCA2HDAC1HDAC6MAPT
SCHEMBL7568056 0.83 RAD52 (0.61) RAD52HPGDSMARCA2LMNAPOLB
SCHEMBL7566449 0.82 CYP1A2 (0.51) RAD52HPGDSMARCA2HDAC1HDAC6
SCHEMBL7567001 0.82 SIGMAR1 (0.56) RAD52HPGDSMARCA2KDM4ELMNA
SCHEMBL7998025 0.80 RAD52 (0.47) RAD52HPGDSMARCA2KDM4EHDAC1

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 1 patent. 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