SCHEMBL4251995

SCHEMBL4251995

NNC(=O)CCN(CCC(=O)NN)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.42
AOC3 Q16853 2/20 0.42
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4416802 0.83 AOC3 (0.49) ALDH1A1MAPTKDM4EL3MBTL1LMNA
SCHEMBL4248111 0.83 AOC3 (0.45) ALDH1A1MAPTKDM4EL3MBTL1AOC3
SCHEMBL4397006 0.83 L3MBTL1 (0.42) ALDH1A1MAPTKDM4EL3MBTL1LMNA
SCHEMBL4247537 0.82 L3MBTL1 (0.58) ALDH1A1MAPTKDM4EL3MBTL1LMNA
SCHEMBL4245848 0.79 CA1 (0.51) ALDH1A1MAPTL3MBTL1AOC3HDAC6
SCHEMBL11792163 0.73 L3MBTL1 (0.51) ALDH1A1MAPTL3MBTL1KMT2AAOC3
SCHEMBL17967143 0.73 HDAC1 (0.57) ALDH1A1MAPTKDM4EL3MBTL1LMNA
SCHEMBL4385002 0.72 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EL3MBTL1LMNA
SCHEMBL2117009 0.72 HDAC6 (0.77) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL4249311 0.70 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EL3MBTL1LMNA

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