SCHEMBL13523923

SCHEMBL13523923

CCCCC(C)(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
CNR1 P21554 4/20 0.45
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
CYP3A4 P08684 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 2/20 0.36
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35

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
SCHEMBL13523921 0.94 CNR2 (0.51) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL13523927 0.92 CNR2 (0.54) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL6361104 0.91 CYP3A4 (0.48) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL4332997 0.89 MAPT (0.60) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL10803424 0.87 MAPT (0.46) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL6367656 0.86 CYP3A4 (0.47) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL6362655 0.84 CNR2 (0.48) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL6362886 0.84 CNR2 (0.48) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL6363555 0.84 CNR2 (0.48) CNR2CNR1MAPTNPC1RAB9A
SCHEMBL6362879 0.84 CNR2 (0.48) CNR2CNR1MAPTNPC1RAB9A

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