SCHEMBL7566449

SCHEMBL7566449

CNCCCNC(=O)c1cccc2nc3c(C)cccc3nc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAD52 P43351 3/20 0.48
SMARCA2 P51531 1/20 0.48
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
AOX1 Q06278 1/20 0.41
ALOX5 P09917 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
SCHEMBL8415079 0.94 RAD52 (0.50) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL8009925 0.86 HPGD (0.49) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL7565910 0.85 RAD52 (0.55) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL8013625 0.84 RAD52 (0.47) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL7998025 0.84 RAD52 (0.47) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL8415115 0.83 RAD52 (0.52) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL7570872 0.82 RAD52 (0.51) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL14440022 0.82 RAD52 (0.51) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL29406087 0.82 RAD52 (0.55) CYP1A2MAPTCYP2C9CYP2C19RAD52
SCHEMBL626969 0.82 RAD52 (0.55) CYP1A2MAPTCYP2C9CYP2C19RAD52

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