SCHEMBL13748946

SCHEMBL13748946

C=C(/N=N\NN)c1cccc(C2c3[nH]c4ccccc4c3CCN2Cc2ccc(Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.54
ESR1 P03372 2/20 0.53
PGR P06401 1/20 0.53
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 4/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.48
ABCG2 Q9UNQ0 4/20 0.47
ABCB1 P08183 2/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44

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 0.94 KIF11 (0.54) KIF11ESR1PGRMAPTMEN1
SCHEMBL13748728 0.94 ESR1 (0.55) KIF11ESR1PGRMAPTMEN1
SCHEMBL13748231 0.90 KIF11 (0.51) KIF11MAPTMEN1KMT2AKDM4E
SCHEMBL13748974 0.90 KIF11 (0.49) KIF11ESR1PGRMAPTMEN1
SCHEMBL13748746 0.90 MAPT (0.51) KIF11ESR1PGRMAPTMEN1
SCHEMBL13748191 0.88 MAPT (0.45) KIF11ESR1PGRMAPTMEN1
SCHEMBL13748669 0.86 KIF11 (0.51) KIF11ESR1PGRMAPTMEN1
SCHEMBL13748234 0.86 KDM4E (0.60) KIF11MAPTMEN1KMT2AKDM4E
SCHEMBL13748197 0.85 KDM4E (0.49) KIF11ESR1PGRMAPTMEN1
SCHEMBL13748571 0.82 KIF11 (0.52) KIF11ESR1PGRMAPTMEN1

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