SCHEMBL7572020

SCHEMBL7572020

Cc1cccc2nc3cccc(C(=O)NC(C)CC(N)CCCN)c3nc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.38
RAD52 P43351 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PYGL P06737 1/20 0.34
KMT2A Q03164 2/20 0.33
PARP1 P09874 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
SMARCA2 P51531 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
APLNR P35414 1/20 0.33
THRB P10828 1/20 0.32
ALDH1A1 P00352 1/20 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
SCHEMBL7570902 0.81 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL21798649 0.80 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8415109 0.78 RAD52 (0.47) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7571813 0.77 MAPT (0.46) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL21798672 0.76 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL21798673 0.75 MAPT (0.46) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7566738 0.75 MAPT (0.48) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL21798679 0.74 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL14440022 0.73 RAD52 (0.51) MAPTCYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL7568123 0.72 RAD52 (0.47) MAPTCYP1A2CYP2C9CYP2C19KDM4E

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-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