SCHEMBL7572166

SCHEMBL7572166

CCC(CN)NC(=O)c1cccc2cc3cc(Cl)ccc3nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
TAS1R2 Q8TE23 1/20 0.44
HTT P42858 1/20 0.40
PTK2 Q05397 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
TP53 P04637 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PRNP P04156 1/20 0.37
PHGDH O43175 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT3 Q9Y243 3/20 0.35

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
SCHEMBL7570655 0.87 AOX1 (0.45) AOX1TAS1R3TAS1R1TAS1R2PTK2
SCHEMBL7573719 0.85 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2HTTPTK2
SCHEMBL7568076 0.85 AOX1 (0.45) AOX1TAS1R3TAS1R1TAS1R2RXFP1
SCHEMBL7573613 0.84 TAS1R3 (0.54) AOX1TAS1R3TAS1R1TAS1R2HTT
SCHEMBL7564792 0.79 NPC1 (0.48) TAS1R3TAS1R1PTK2ALDH1A1SMN1; SMN2
SCHEMBL8009922 0.79 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2HTTPTK2
SCHEMBL7567392 0.78 CTSS (0.45) TAS1R3TAS1R1TAS1R2PTK2HDAC1
SCHEMBL7566165 0.77 TAS1R3 (0.39) AOX1TAS1R3TAS1R1TAS1R2RXFP1
SCHEMBL8414087 0.75 AOX1 (0.46) AOX1TAS1R3TAS1R1TAS1R2RXFP1
SCHEMBL8013624 0.75 MAPT (0.45) TAS1R3TAS1R1TAS1R2HTTPTK2

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