SCHEMBL7564769

SCHEMBL7564769

CCC(NC(=O)c1ccc(Cl)c2cc3ccccc3nc12)C(N)C(CC)NC(=O)c1ccc(Cl)c2cc3ccccc3nc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 3/20 0.59
UHRF1 Q96T88 1/20 0.42
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TACR3 P29371 5/20 0.37
TACR2 P21452 2/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAP4K4 O95819 1/20 0.36
CDK1 P06493 1/20 0.36
CDK2 P24941 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL7567267 0.88 RAD52 (0.44) RAD52UHRF1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7569008 0.85 TAS1R3 (0.44) RAD52SMN1; SMN2TACR3TACR2TAS1R3
SCHEMBL7566344 0.83 HDAC1 (0.48) RAD52UHRF1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7572037 0.82 ALDH1A1 (0.39) RAD52ALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL7566996 0.79 TAS1R3 (0.49) RAD52ALDH1A1KDM4ETAS1R3TAS1R1
SCHEMBL7567052 0.78 HDAC1 (0.39) RAD52ALDH1A1KDM4ESMN1; SMN2TACR3
SCHEMBL7565063 0.78 MAPT (0.41) ALDH1A1KDM4ESMN1; SMN2TACR3TACR2
SCHEMBL7565793 0.77 MAPT (0.40) ALDH1A1KDM4ESMN1; SMN2TACR3TACR2
SCHEMBL7566425 0.77 MAPT (0.51) RAD52ALDH1A1KDM4ETACR3TACR2
SCHEMBL7568097 0.77 TP53 (0.38) ALDH1A1KDM4ESMN1; SMN2TACR3TACR2

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