SCHEMBL13523934

SCHEMBL13523934

CCCCCCC(CC)(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.49
CNR1 P21554 8/20 0.49
ESR1 P03372 5/20 0.47
ESR2 Q92731 5/20 0.47
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 1/20 0.36

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
SCHEMBL13523932 0.98 ESR1 (0.48) CNR2CNR1ESR1ESR2MAPT
SCHEMBL13523933 0.92 ESR1 (0.55) CNR2CNR1ESR1ESR2MAPT
SCHEMBL9506249 0.91 MAPT (0.55) CNR2CNR1ESR1ESR2MAPT
SCHEMBL9504010 0.91 MAPT (0.55) CNR2CNR1ESR1ESR2MAPT
SCHEMBL9505321 0.91 MAPT (0.55) CNR2CNR1ESR1ESR2MAPT
SCHEMBL9503281 0.91 MAPT (0.55) CNR2CNR1ESR1ESR2MAPT
SCHEMBL9506262 0.89 MAPT (0.57) CNR2CNR1ESR1ESR2MAPT
SCHEMBL13523930 0.84 ESR1 (0.52) CNR2CNR1ESR1ESR2MAPT
SCHEMBL13523938 0.84 ESR1 (0.64) CNR2CNR1ESR1ESR2MAPT
SCHEMBL8540208 0.83 MAPT (0.58) ESR1ESR2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049599-B1 BASIC BISAZO COMPOUNDS ARCHROMA IP GMBH (CH) 2017-02-22 EP disclosed
US-8921564-B2 Basic bisazo compounds CLARIANT FINANCE (BVI) LTD. (VG) 2014-12-30 US disclosed
US-8921564-B2 Basic bisazo compounds CLARIANT FINANCE (BVI) LTD. (VG) 2014-12-30 US disclosed
US-20100000033-A1 Basic Bisazo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-01-07 US disclosed
US-20100000033-A1 Basic Bisazo Compounds CLARIANT FINANCE (BVI) LIMITED (VG) 2010-01-07 US disclosed
WO-2008012322-A1 BASIC BISAZO COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2008-01-31 WO disclosed