SCHEMBL8560541

SCHEMBL8560541

CC(NCCN)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.47
CA1 P00915 2/20 0.47
CA7 P43166 2/20 0.47
CYP2D6 P10635 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
CTSK P43235 8/20 0.41
CTSS P25774 4/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 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
SCHEMBL3298350 0.86 MAOA (0.44) CA2CA1CA7CYP2D6TDP1
SCHEMBL26053982 0.84 CA1 (0.45) CA2CA1CA7CYP2D6TDP1
SCHEMBL2153708 0.80 CA2 (0.45) CA2CA1CA7CYP2D6TDP1
SCHEMBL2166916 0.77 CA1 (0.49) CA2CA1CA7CYP2D6TDP1
SCHEMBL8646265 0.77 CYP2D6 (0.51) CA2CA1CA7CYP2D6TDP1
SCHEMBL2685445 0.76 CA2 (0.49) CA2CA1CA7CYP2D6TDP1
SCHEMBL929382 0.75 CA1 (0.53) CA2CA1CA7CYP2D6CTSK
SCHEMBL3484138 0.75 CA1 (0.53) CA2CA1CA7CYP2D6CTSK
SCHEMBL86310 0.75 CA1 (0.50) CA2CA1CA7CYP2D6CTSK
SCHEMBL86237 0.75 CA1 (0.50) CA2CA1CA7CYP2D6CTSK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934278-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1999-08-11 EP disclosed
WO-1998017650-A1 BIS(ACRIDINECARBOXAMIDE) AND BIS(PHENAZINECARBOXAMIDE) AS ANTITUMOUR AGENTS XENOVA LIMITED (GB) 1998-04-30 WO disclosed