SCHEMBL12338697

SCHEMBL12338697

CCN(CCN(CC)Cc1ccccn1)Cc1ccccn1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.78
MAPT P10636 1/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
LIN28A Q9H9Z2 1/20 0.78
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
TSHR P16473 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
KCNA5 P22460 3/20 0.46
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.45
KCNE1 P15382 1/20 0.45
NR1H2 P55055 1/20 0.44
NR1H3 Q13133 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL6864949 0.98 TDP1 (0.81) TDP1MAPTSMN1; SMN2LIN28ADRD2
SCHEMBL804309 0.92 TDP1 (0.70) TDP1MAPTSMN1; SMN2LIN28ADRD2
SCHEMBL8604224 0.92 TDP1 (0.70) TDP1MAPTSMN1; SMN2LIN28ADRD2
SCHEMBL29877048 0.92 TDP1 (0.70) TDP1MAPTSMN1; SMN2LIN28ADRD2
SCHEMBL13555816 0.90 TDP1 (0.62) TDP1MAPTSMN1; SMN2LIN28ADRD2
SCHEMBL11471516 0.90 TDP1 (0.62) TDP1MAPTSMN1; SMN2LIN28ADRD2
SCHEMBL231092 0.88 TDP1 (1.00) TDP1MAPTSMN1; SMN2LIN28ATSHR
SCHEMBL29427509 0.88 TDP1 (1.00) TDP1MAPTSMN1; SMN2LIN28ATSHR
SCHEMBL3936898 0.87 TDP1 (0.59) TDP1MAPTSMN1; SMN2LIN28ADRD2
SCHEMBL10609540 0.86 TDP1 (0.96) TDP1MAPTSMN1; SMN2LIN28ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268908-B2 Pigment dispersion liquid, inkjet recording ink, inkjet recording method, ink cartridge and inkjet recording apparatus CANON FINETECH INC. (JP) 2012-09-18 US disclosed
US-8268908-B2 Pigment dispersion liquid, inkjet recording ink, inkjet recording method, ink cartridge and inkjet recording apparatus CANON FINETECH INC. (JP) 2012-09-18 US disclosed
US-20100021635-A1 PIGMENT DISPERSION LIQUID, INKJET RECORDING INK, INKJET RECORDING METHOD, INK CARTRIDGE AND INKJET RECORDING APPARATUS CANON FINETECH INC. (JP) 2010-01-28 US disclosed