SCHEMBL7567407

SCHEMBL7567407

CCC(NC)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 0.46
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
F2R P25116 1/20 0.38
PARP1 P09874 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 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
SCHEMBL7567803 0.85 CTSS (0.46) CTSSCTSKCTSVCTSLCTSB
SCHEMBL8624362 0.84 TERT (0.41) HDAC1HDAC6PARP1AOX1KAT6A
SCHEMBL7566453 0.84 CTSS (0.47) CTSSCTSKCTSVCTSLCTSB
SCHEMBL7567392 0.84 CTSS (0.45) CTSSCTSKCTSVCTSLCTSB
SCHEMBL8412028 0.82 AOX1 (0.39) HDAC1HDAC6PARP1KCNK3KCNK9
SCHEMBL8415172 0.81 AOX1 (0.38) HDAC1HDAC6PARP1POLBAOX1
SCHEMBL7570667 0.77 AOX1 (0.47) HDAC1HDAC6PARP1POLBAOX1
SCHEMBL7567397 0.77 HDAC1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7570912 0.76 KDM4E (0.49) HDAC6KCNK3KCNK9KAT6A
SCHEMBL7107762 0.74 AOX1 (0.65) HDAC1HDAC6PARP1POLBAOX1

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