SCHEMBL13748746

SCHEMBL13748746

C=C(/N=N\NN)c1cccc(CN2CCc3c([nH]c4ccccc34)C2c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
KIF11 P52732 2/20 0.50
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.48
SIGMAR1 Q99720 4/20 0.47
ESR1 P03372 2/20 0.47
PGR P06401 1/20 0.47
ABCG2 Q9UNQ0 3/20 0.46
ABCB1 P08183 2/20 0.46
PKM P14618 1/20 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
SCHEMBL13748945 0.95 KIF11 (0.54) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748728 0.94 ESR1 (0.55) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748669 0.94 KIF11 (0.51) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748974 0.92 KIF11 (0.49) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748234 0.91 KDM4E (0.60) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748946 0.90 KIF11 (0.54) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748231 0.89 KIF11 (0.51) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748191 0.84 MAPT (0.45) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13748197 0.84 KDM4E (0.49) MAPTKDM4EMEN1KMT2AL3MBTL1
SCHEMBL13747996 0.80 KDM4E (0.51) 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