SCHEMBL7567392

SCHEMBL7567392

CCC(CN)NC(=O)c1cccc2cc3cccc(C(F)(F)F)c3nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.45
CTSK P43235 3/20 0.44
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 1/20 0.41
PARP1 P09874 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
PTK2 Q05397 1/20 0.38
HDAC4 P56524 2/20 0.38
HDAC3 O15379 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
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL7566453 0.84 CTSS (0.47) CTSSCTSKPOLBMAPK1TAS1R3
SCHEMBL7567407 0.84 CTSS (0.46) CTSSCTSKPOLBMAPK1PARP1
SCHEMBL7573613 0.84 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2PARP1PTK2
SCHEMBL7567803 0.83 CTSS (0.46) CTSSCTSKPOLBMAPK1PARP1
SCHEMBL7570655 0.78 AOX1 (0.45) TAS1R3TAS1R1TAS1R2PTK2HDAC1
SCHEMBL7572166 0.78 AOX1 (0.45) POLBTAS1R3TAS1R1TAS1R2PTK2
SCHEMBL7564792 0.77 NPC1 (0.48) POLBTAS1R3TAS1R1PARP1PTK2
SCHEMBL27489866 0.75 PARP1 (0.53) PARP1CYP3A4CD38
SCHEMBL7570912 0.74 KDM4E (0.49) HDAC6
SCHEMBL7567397 0.73 HDAC1 (0.47) PARP1HDAC4HDAC3HDAC1HDAC7

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