SCHEMBL12069741

SCHEMBL12069741

CCN(CC)c1ccc(/N=N/c2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
LMNA P02545 4/20 0.50
MAPT P10636 4/20 0.50
KDM4E B2RXH2 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 3/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PSMD14 O00487 2/20 0.42
TSHR P16473 1/20 0.42
RECQL P46063 1/20 0.42
GFER P55789 1/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
GSK3B P49841 2/20 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
SCHEMBL10659969 0.89 ALDH1A1 (0.52) TDP1MAPTKDM4EKMT2ANPC1
SCHEMBL19823005 0.88 KMT2A (0.54) TDP1LMNAMAPTKDM4EKMT2A
SCHEMBL12509970 0.85 S100B (0.43) TDP1LMNAMAPTKDM4EKMT2A
SCHEMBL24849962 0.85 S100B (0.43) TDP1LMNAMAPTKDM4EKMT2A
SCHEMBL15489468 0.84 MAPT (0.51) TDP1LMNAMAPTKDM4EKMT2A
SCHEMBL12069742 0.83 NR1H2 (0.47) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL30979190 0.81 ALDH1A1 (0.52) TDP1LMNAMAPTKDM4EKMT2A
SCHEMBL27229984 0.81 ALDH1A1 (0.52) TDP1LMNAMAPTKDM4EKMT2A
SCHEMBL12069745 0.79 MAPT (0.54) TDP1LMNAMAPTKDM4EKMT2A
SCHEMBL17859710 0.79 ALDH1A1 (0.59) TDP1MAPTKDM4EKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 EP disclosed
US-9057020-B2 Black dichroic dye BASF SE (DE) 2015-06-16 US disclosed
US-20130092874-A1 BLACK DICHROIC DYE BASF SE (DE) 2013-04-18 US disclosed
WO-2011157614-A1 BLACK DICHROIC DYE BASF SE (DE) 2011-12-22 WO disclosed