SCHEMBL7567803

SCHEMBL7567803

CCC(NC(=O)c1cccc2cc3cccc(C(F)(F)F)c3nc12)N(C)C(CC)NC(=O)c1cccc2cc3cccc(C(F)(F)F)c3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.46
CTSK P43235 5/20 0.45
AOX1 Q06278 1/20 0.43
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
F2R P25116 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7566415 0.86 RAD52 (0.47) CTSSAOX1HDAC3HDAC1HDAC2
SCHEMBL7567407 0.85 CTSS (0.46) CTSSCTSKAOX1CTSVCTSL
SCHEMBL7567999 0.85 AOX1 (0.47) AOX1POLBMAPK1RAD52
SCHEMBL7569139 0.85 AOX1 (0.45) AOX1RAD52PARP1
SCHEMBL7565768 0.84 AOX1 (0.44) CTSSCTSKAOX1HDAC1HDAC11
SCHEMBL8414335 0.84 TAS1R3 (0.46) CTSSCTSKAOX1RAD52
SCHEMBL7567237 0.84 AOX1 (0.44) AOX1HDAC8HDAC3HDAC4HDAC1
SCHEMBL7566453 0.83 CTSS (0.47) CTSSCTSKCTSVCTSLCTSB
SCHEMBL7567392 0.83 CTSS (0.45) CTSSCTSKCTSVCTSLCTSB
SCHEMBL8415046 0.82 AOX1 (0.53) AOX1HDAC1HDAC6POLBRAD52

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