SCHEMBL5047485

SCHEMBL5047485

CNCCCCCCn1ccnc1-c1ncc[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TLR8 Q9NR97 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
HASPIN Q8TF76 1/20 0.33
BRD4 O60885 1/20 0.33
MTOR P42345 1/20 0.32
ADK P55263 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL6017638 0.79 NISCH (0.38) NISCHALDH1A1POLBKMT2ACA12
SCHEMBL19801295 0.76 ALDH1A1 (0.61) ALDH1A1POLBKMT2ACA12CA1
SCHEMBL25894910 0.75 ALDH1A1 (0.62) ALDH1A1POLBKMT2ACA12CA1
SCHEMBL11011484 0.72 NISCH (0.38) NISCHALDH1A1POLBKMT2ACYP3A4
SCHEMBL13202786 0.71 ESR1 (0.56) ALDH1A1POLBKMT2ACA12CA1
SCHEMBL21804428 0.70 NISCH (0.39) NISCHALDH1A1POLBKMT2ACYP3A4
SCHEMBL3053615 0.70 KMT2A (0.65) ALDH1A1POLBKMT2ACA12CA1
SCHEMBL3534451 0.69 BRD4 (0.46) NISCHALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL28796695 0.69 NISCH (0.40) NISCHALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL9369328 0.67 HSD17B10 (0.55) NISCHALDH1A1KMT2ACYP3A4CYP2C19

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
US-20080248354-A1 Enzyme Electrode, and Device, Sensor, Fuel Cell and Electrochemical Reactor Employing the Enzyme Electrode CANON KABUSHIKI KAISHA (JP) 2008-10-09 US disclosed
US-20070056852-A1 Enzyme electrode sensor fuel cell and electrochemical reactor CANON KABUSHIKI KAISHA (JP) 2007-03-15 US disclosed
WO-2006009324-A1 ENZYME ELECTRODE, AND DEVICE, SENSOR, FUEL CELL AND ELECTROCHEMICAL REACTOR EMPLOYING THE ENZYME ELECTRODE CANON KABUSHIKI KAISHA (JP) 2006-01-26 WO disclosed
WO-2006009328-A1 ENZYME ELECTRODE, SENSOR, FUEL CELL, AND ELECTROCHEMICAL REACTOR CANON KABUSHIKI KAISHA (JP) 2006-01-26 WO disclosed