SCHEMBL7570917

SCHEMBL7570917

CCC(NC(=O)c1cccc2cc3cc(-c4ccccc4)ccc3nc12)C(N)C(CC)NC(=O)c1cccc2cc3cc(-c4ccccc4)ccc3nc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.44
PARP1 P09874 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TACR3 P29371 6/20 0.38
TACR2 P21452 2/20 0.38
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAD52 P43351 1/20 0.35
CAPN1 P07384 1/20 0.35
CTSB P07858 1/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
ABL1 P00519 2/20 0.34
NQO2 P16083 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
SCHEMBL7566344 0.88 HDAC1 (0.48) AOX1PARP1HDAC1HDAC6TACR3
SCHEMBL7565766 0.86 AOX1 (0.46) AOX1PARP1HDAC1HDAC6ALDH1A1
SCHEMBL7568076 0.85 AOX1 (0.45) AOX1HDAC1HDAC6ALDH1A1RAD52
SCHEMBL7565049 0.85 AOX1 (0.45) AOX1PARP1HDAC1HDAC6ALDH1A1
SCHEMBL7565639 0.85 AOX1 (0.45) AOX1HDAC1HDAC6TACR3SMN1; SMN2
SCHEMBL7564414 0.85 AOX1 (0.45) AOX1PARP1HDAC1HDAC6ALDH1A1
SCHEMBL7564186 0.84 AOX1 (0.44) AOX1HDAC1HDAC6TACR3TACR2
SCHEMBL7564130 0.84 MEN1 (0.40) AOX1PARP1TACR3TACR2
SCHEMBL7566419 0.84 AOX1 (0.44) AOX1HDAC1HDAC6RAD52
SCHEMBL7564805 0.84 KDM4E (0.49) AOX1PARP1ALDH1A1HPGDSMN1; SMN2

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