SCHEMBL4245848

SCHEMBL4245848

COc1ccc(N(CCC(=O)NN)CCC(=O)NN)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ESR2 Q92731 1/20 0.45
NOX1 Q9Y5S8 1/20 0.45
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43

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
SCHEMBL11119371 0.83 PDE4B (0.51) L3MBTL1HTTMAPTALDH1A1NPC1
SCHEMBL4248111 0.82 AOC3 (0.45) L3MBTL1HTTMAPTALDH1A1RAB9A
SCHEMBL23857357 0.79 MEP1B (0.58) CA1CA2HTTMAPTALDH1A1
SCHEMBL4251995 0.79 ALDH1A1 (0.47) L3MBTL1MAPTALDH1A1NPC1RAB9A
SCHEMBL4416802 0.79 AOC3 (0.49) CA1CA2L3MBTL1MAPTALDH1A1
SCHEMBL4397006 0.79 L3MBTL1 (0.42) L3MBTL1HTTMAPTALDH1A1HDAC3
SCHEMBL4247537 0.78 L3MBTL1 (0.58) L3MBTL1HTTMAPTALDH1A1TP53
SCHEMBL19043180 0.76 MAPT (0.61) CA1CA2HTTMAPTALDH1A1
SCHEMBL13903016 0.76 ALDH1A1 (0.67) CA1CA2L3MBTL1HTTMAPT
SCHEMBL10686678 0.75 PPARG (0.53) L3MBTL1HTTMAPTALDH1A1NPC1

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