SCHEMBL2783497

SCHEMBL2783497

Clc1cccc(CN2CCc3c([nH]c4ccccc34)C2c2cccc(-c3nnn[nH]3)c2)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.48
MAPT P10636 10/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.45
KIF11 P52732 2/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR1 P03372 1/20 0.43
PGR P06401 1/20 0.43
PDE5A O76074 1/20 0.42
SIGMAR1 Q99720 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
SCHEMBL13749166 0.74 KDM4E (0.47) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL13748744 0.73 MAPT (0.45) KDM4EMAPTPKMMEN1KMT2A
SCHEMBL13748191 0.73 MAPT (0.45) KDM4EMAPTPKMMEN1KMT2A
SCHEMBL13748196 0.70 KIF11 (0.56) KDM4EMAPTPKMMEN1KMT2A
SCHEMBL13749167 0.69 MAPT (0.47) KDM4EMAPTMEN1KMT2ATDP1
SCHEMBL2783762 0.68 MAPT (0.47) KDM4EMAPTMEN1KMT2AMAPK1
SCHEMBL13748873 0.68 MAPT (0.47) KDM4EMAPTPKMMEN1KMT2A
SCHEMBL13749164 0.67 MAPT (0.49) KDM4EMAPTPKMMEN1KMT2A
SCHEMBL23875966 0.65 KIF11 (0.63) KDM4EMAPTMEN1KMT2ANPSR1
SCHEMBL13747991 0.65 MAPT (0.57) KDM4EMAPTMEN1KMT2ATDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240493-A2 ANTIBIOTIC TETRAHYDRO-BETA-CARBOLINE DERIVATIVES Biota Scientific Management Pty Ltd (AU) 2010-10-20 EP disclosed
WO-2009102377-A2 ANTIBIOTIC TETRAHYDRO-BETA-CARBOLINE DERIVATIVES MAXTHERA INC. (US) 2009-08-20 WO disclosed