SCHEMBL7570655

SCHEMBL7570655

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOX1 Q06278 1/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 1/20 0.39
PTK2 Q05397 2/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.34
CNR2 P34972 1/20 0.34
HPGD P15428 1/20 0.34
RAD52 P43351 1/20 0.34

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
SCHEMBL7572166 0.87 AOX1 (0.45) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7565049 0.85 AOX1 (0.45) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7570667 0.85 AOX1 (0.47) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL7568211 0.84 AOX1 (0.53) AOX1HDAC1HDAC6KDM4EALDH1A1
SCHEMBL7573613 0.80 TAS1R3 (0.54) AOX1TAS1R3TAS1R1TAS1R2PTK2
SCHEMBL7564792 0.79 NPC1 (0.48) TAS1R3TAS1R1PTK2KDM4EALDH1A1
SCHEMBL7567392 0.78 CTSS (0.45) HDAC1HDAC6TAS1R3TAS1R1TAS1R2
SCHEMBL7564033 0.77 HDAC1 (0.40) AOX1HDAC1HDAC6TAS1R3TAS1R1
SCHEMBL8013624 0.75 MAPT (0.45) TAS1R3TAS1R1TAS1R2PTK2KDM4E
SCHEMBL7998024 0.75 MAPT (0.45) TAS1R3TAS1R1TAS1R2PTK2KDM4E

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