SCHEMBL13748196

SCHEMBL13748196

Cc1ccc(CN2CCc3c([nH]c4ccccc34)C2c2cccc(-c3nn[nH]n3)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.56
MAPT P10636 12/20 0.52
KDM4E B2RXH2 11/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 2/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PKM P14618 1/20 0.49
MAPK1 P28482 2/20 0.48
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 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
SCHEMBL13748873 0.88 MAPT (0.47) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13749164 0.87 MAPT (0.49) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL2783762 0.79 MAPT (0.47) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL17928402 0.77 ESR1 (0.69) KIF11MAPTKDM4ELMNATP53
SCHEMBL13748468 0.77 MAPT (0.48) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13748915 0.76 KDM4E (0.48) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13912140 0.76 ESR1 (0.60) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL16402752 0.74 KDM4E (0.65) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL2783497 0.70 KDM4E (0.48) KIF11MAPTKDM4EMEN1KMT2A
SCHEMBL13747998 0.70 KDM4E (0.60) 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