SCHEMBL13748945

SCHEMBL13748945

C=C(/N=N\NN)c1cccc(C2c3[nH]c4ccccc4c3CCN2Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.54
MAPT P10636 8/20 0.53
KDM4E B2RXH2 7/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.50
ABCG2 Q9UNQ0 3/20 0.47
ABCB1 P08183 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ESR1 P03372 2/20 0.47
PGR P06401 1/20 0.47
PKM P14618 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SIGMAR1 Q99720 2/20 0.45

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
SCHEMBL13748746 0.95 MAPT (0.51) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748946 0.94 KIF11 (0.54) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748231 0.92 KIF11 (0.51) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748728 0.91 ESR1 (0.55) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748974 0.90 KIF11 (0.49) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748669 0.90 KIF11 (0.51) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748234 0.89 KDM4E (0.60) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748191 0.89 MAPT (0.45) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748197 0.87 KDM4E (0.49) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748571 0.81 KIF11 (0.52) KIF11MAPTKDM4EMEN1KMT2A

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