SCHEMBL4248111

SCHEMBL4248111

Cc1ccc(N(CCC(=O)NN)CCC(=O)NN)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CTSD P07339 1/20 0.39
RAB9A P51151 2/20 0.39
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

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
SCHEMBL4250578 0.85 RAB9A (0.41) AOC3KDM4EPOLBL3MBTL1MMP2
SCHEMBL4251995 0.83 ALDH1A1 (0.47) AOC3KDM4EPOLBL3MBTL1MAPT
SCHEMBL4397006 0.83 L3MBTL1 (0.42) AOC3KDM4EL3MBTL1MAPTHTT
SCHEMBL4416802 0.83 AOC3 (0.49) AOC3KDM4EPOLBL3MBTL1MAPT
SCHEMBL4247537 0.82 L3MBTL1 (0.58) AOC3KDM4EL3MBTL1MAPTHTT
SCHEMBL4245848 0.82 CA1 (0.51) AOC3L3MBTL1MAPTHTTRAB9A
SCHEMBL2805280 0.82 KMT2A (0.50) POLBL3MBTL1MAPTHTTTSHR
SCHEMBL11792163 0.77 L3MBTL1 (0.51) AOC3L3MBTL1MAPTHTTTSHR
SCHEMBL14557227 0.76 CNR2 (0.46) L3MBTL1MAPTHTTTSHRMAPK1
SCHEMBL31037870 0.74 MAPT (0.49) L3MBTL1MAPTHTTTSHRMAPK1

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
WO-2009127815-A1 AMINOALYL-IMIDAZOTETRAZINES FOR TREATMENT OF CANCER THE UNIVERSITY OF BRADFORD (GB) 2009-10-22 WO disclosed