SCHEMBL11668293

SCHEMBL11668293

NC(=NC(=O)Nc1ccc(Br)cc1)NCCCCCCNC(N)=NC(=O)Nc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 16/20 0.48
FPR3 P25089 14/20 0.48
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42

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
SCHEMBL11668323 0.87 ALDH1A1 (0.50) HDAC8HDAC6MEN1KMT2A
SCHEMBL11668325 0.85 CNR1 (0.50) HDAC8MEN1KMT2A
SCHEMBL11674067 0.85 CNR1 (0.50) HDAC8MEN1KMT2A
SCHEMBL11501627 0.85 CNR1 (0.50) HDAC8MEN1KMT2A
SCHEMBL11668524 0.85 HDAC1 (0.51) HDAC8HDAC6
SCHEMBL11668446 0.76 HTR3E (0.68) MEN1KMT2AF13A1TGM2
SCHEMBL11501930 0.73 TMEM97 (0.46) MEN1KMT2ASIGMAR1
SCHEMBL11501942 0.72 TP53 (0.56) SIGMAR1
SCHEMBL11668328 0.71 KDM4E (0.48) MEN1KMT2A
SCHEMBL11501786 0.69 LMNA (0.46) MEN1KMT2ASIGMAR1

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
US-4022962-A DENTAL PLAQUE INHIBITORS COOPER LABORATORIES, INC. (US) 1977-05-10 US claimed