SCHEMBL7572037

SCHEMBL7572037

CCC(NC(=O)c1cc(Cl)cc2cc3ccccc3nc12)C(N)C(CC)NC(=O)c1cc(Cl)cc2cc3ccccc3nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
RAD52 P43351 1/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TACR3 P29371 3/20 0.35
TACR2 P21452 2/20 0.35
HTT P42858 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TMPRSS4 Q9NRS4 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
SCHEMBL7567052 0.88 HDAC1 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL7568097 0.87 TP53 (0.38) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL7566344 0.86 HDAC1 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL7568076 0.84 AOX1 (0.45) ALDH1A1KDM4EMAPTRAD52TP53
SCHEMBL7564769 0.82 RAD52 (0.59) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL7566165 0.82 TAS1R3 (0.39) ALDH1A1KDM4EMAPTPOLBRAD52
SCHEMBL7598212 0.79 RAD52 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL7567267 0.78 RAD52 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTGAA
SCHEMBL7569008 0.77 TAS1R3 (0.44) SMN1; SMN2MAPTRAD52TP53RXFP1
SCHEMBL7564998 0.77 PKMYT1 (0.40) ALDH1A1KDM4ESMN1; SMN2MAPTGAA

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