SCHEMBL13748191

SCHEMBL13748191

C=C(/N=N\NN)c1cccc(C2c3[nH]c4ccccc4c3CCN2Cc2cccc(Cl)c2Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
KDM4E B2RXH2 7/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ESR1 P03372 2/20 0.45
PGR P06401 1/20 0.45
KIF11 P52732 3/20 0.44
ABCG2 Q9UNQ0 3/20 0.44
ABCB1 P08183 1/20 0.44
HTT P42858 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL13748945 0.89 KIF11 (0.54) MAPTKDM4EPKMMEN1KMT2A
SCHEMBL13748946 0.88 KIF11 (0.54) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748197 0.88 KDM4E (0.49) MAPTKDM4EPKMMEN1KMT2A
SCHEMBL13748744 0.85 MAPT (0.45) MAPTKDM4EPKMMEN1KMT2A
SCHEMBL13748231 0.85 KIF11 (0.51) MAPTKDM4EPKMMEN1KMT2A
SCHEMBL13748746 0.84 MAPT (0.51) MAPTKDM4EPKMMEN1KMT2A
SCHEMBL13748728 0.84 ESR1 (0.55) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748974 0.83 KIF11 (0.49) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748669 0.81 KIF11 (0.51) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748234 0.81 KDM4E (0.60) MAPTKDM4EMEN1KMT2AL3MBTL1

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-2009102377-A2 ANTIBIOTIC TETRAHYDRO-BETA-CARBOLINE DERIVATIVES MAXTHERA INC. (US) 2009-08-20 WO disclosed