SCHEMBL7571817

SCHEMBL7571817

Cc1cccc2nc3cccc(C(=O)NCCC(N)(CCN)CCNC(=O)c4cccc5nc6cccc(C)c6nc45)c3nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.51
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMARCA2 P51531 1/20 0.44
NQO2 P16083 1/20 0.39
KDM4E B2RXH2 1/20 0.36
AOX1 Q06278 1/20 0.36
HPGD P15428 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HSD17B10 Q99714 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3811646 0.93 RAD52 (0.48) RAD52MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7564928 0.87 RAD52 (0.47) RAD52MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7566555 0.86 RAD52 (0.47) RAD52MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8415115 0.83 RAD52 (0.52) RAD52MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14440022 0.82 RAD52 (0.51) RAD52MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1729642 0.82 RAD52 (0.59) RAD52MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL626969 0.82 RAD52 (0.55) RAD52MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL31399388 0.82 RAD52 (0.55) RAD52MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL29406087 0.82 RAD52 (0.55) RAD52MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7566368 0.81 RAD52 (0.42) RAD52MAPTCYP1A2CYP2C9CYP2C19

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